data_2dkp_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 2dkp _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 ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.749 0.229 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.36 127.43 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.182 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.3 -56.49 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -165.02 142.94 6.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.409 ' CB ' HG23 ' A' ' 44' ' ' VAL . 6.0 ptt-85 -135.74 127.78 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.532 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -158.15 173.86 35.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.479 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -80.01 102.73 9.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 tp -102.39 155.58 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -104.71 122.28 45.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.3 m95 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 130.54 56.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -82.63 122.73 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -148.17 167.02 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.532 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 52.4 t-105 -94.19 112.09 23.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -104.75 161.86 13.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.409 HG23 ' CB ' ' A' ' 24' ' ' ARG . 70.7 t -151.22 135.09 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.38 99.37 8.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t -149.83 145.26 26.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t70 63.36 39.42 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.3 mt 47.23 29.97 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.1 m -138.7 176.64 8.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -114.1 134.64 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -142.55 135.6 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -137.97 161.73 35.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -141.28 169.6 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -46.62 -49.85 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -148.48 -175.09 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -52.93 -36.63 59.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -44.59 -29.92 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.42 ' HG2' ' CE1' ' A' ' 53' ' ' TYR . 21.3 mt-10 61.66 31.48 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -76.15 92.88 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.99 135.04 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.454 HG12 ' CE2' ' A' ' 53' ' ' TYR . 85.7 mt -85.89 131.19 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.44 -27.57 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.64 138.52 2.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 p -101.36 153.26 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.9 mt -130.26 122.96 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.18 111.14 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 12.7 mt -69.42 -43.31 22.93 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.9 Cg_exo -47.92 -24.78 5.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.413 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 25.8 m -92.43 -22.39 19.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 8.5 m-85 -85.18 153.4 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -115.74 108.11 15.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.9 mm -80.47 118.47 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.46 143.06 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 74' ' ' LEU . 2.4 mm? -61.09 137.2 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.4 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.896 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.899 0.38 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.19 159.48 41.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -127.63 177.01 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -137.1 152.37 49.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.481 ' HB3' ' CD1' ' A' ' 70' ' ' PHE . . . -122.04 121.98 38.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.26 141.94 27.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 26.7 t-80 -134.87 140.36 34.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.51 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.56 -48.73 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -91.31 10.76 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.505 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.6 mtm -148.03 -175.66 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.51 -176.91 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.3 m -92.49 121.1 33.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.65 172.12 9.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -146.6 129.41 16.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -129.54 133.2 47.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.7 p -135.74 156.85 48.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.419 HG21 ' C ' ' A' ' 106' ' ' GLU . 45.3 p -124.25 -175.75 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.75 -41.09 18.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.7 p -128.35 -175.91 3.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.85 -39.3 65.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.473 ' CD ' ' CD1' ' A' ' 109' ' ' LEU . 4.7 tmmm? -61.05 -63.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.419 ' C ' HG21 ' A' ' 101' ' ' THR . 5.3 mm-40 -39.28 -27.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' LYS . 1.5 ttt -82.03 -42.27 19.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 105' ' ' LYS . 7.0 pt-20 -62.34 -36.23 81.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.473 ' CD1' ' CD ' ' A' ' 105' ' ' LYS . 28.5 mt -64.85 -33.98 77.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -80.8 -43.23 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.9 mmm -63.44 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 111' ' ' MET . 28.8 mmtp -34.85 -41.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -80.21 -66.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 113' ' ' ALA . 23.7 mtt -36.85 -56.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -49.87 -44.63 49.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -52.77 -26.01 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -95.52 -38.66 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.2 -53.04 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo . . . . . 0 C--O 1.232 0.2 0 CA-C-O 120.831 0.263 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.15 126.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.2 t -69.94 -60.08 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -160.95 137.73 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -126.62 124.37 39.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.517 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -160.3 165.3 34.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.486 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 87.4 m95 -77.34 95.1 4.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.539 HD12 ' CD1' ' A' ' 110' ' ' TRP . 28.1 tp -95.45 144.19 26.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -90.66 132.97 35.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.8 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -100.69 149.23 24.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HE3' ' CG ' ' A' ' 26' ' ' TRP . 22.7 tptt -91.15 118.56 30.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -142.82 155.67 44.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 38.3 t-105 -85.54 113.8 22.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.5 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 34.0 m-85 -111.71 143.65 42.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.72 135.13 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.51 99.29 8.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 t -142.91 144.37 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t70 58.1 42.75 21.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.3 mt 45.85 44.38 10.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.408 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 10.4 t -151.52 162.01 41.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -102.31 134.19 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.408 ' CE2' ' HB3' ' A' ' 49' ' ' CYS . 76.0 m-85 -143.67 125.22 14.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.417 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 18.5 p90 -124.41 164.79 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.565 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -140.44 178.55 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.968 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -57.38 -46.63 83.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.64 -179.94 7.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.12 -17.54 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -56.57 -25.28 51.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 60.13 40.4 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -94.83 98.7 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.14 134.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 53' ' ' TYR . 99.3 mt -87.28 122.59 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.137 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.77 -35.1 76.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -168.09 141.52 6.87 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.7 p -104.9 150.26 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.1 mt -129.71 122.1 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.46 112.1 18.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.9 mt -68.74 -44.01 30.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.1 Cg_exo -48.0 -23.83 4.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t -92.69 -25.74 18.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.513 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 10.1 m-85 -82.9 162.17 21.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -126.39 109.52 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.458 ' CB ' HD23 ' A' ' 115' ' ' LEU . 2.9 mm -80.19 117.76 26.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.83 138.79 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 ' N ' HD21 ' A' ' 74' ' ' LEU . 1.1 mm? -58.19 137.27 57.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.527 ' CD1' ' HA2' ' A' ' 104' ' ' GLY . 22.6 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.874 0.369 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.15 145.27 46.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 1.2 p90 -128.98 -179.56 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -144.58 147.16 32.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.35 128.72 55.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.54 141.79 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 30.1 t-80 -135.82 140.22 32.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.57 0.7 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.36 -48.84 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -90.12 10.24 25.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.463 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 42.7 mtm -148.51 -176.17 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -92.71 -177.17 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.9 m -89.26 126.81 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.53 162.48 13.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -134.36 126.36 29.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.505 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 35.7 m-85 -129.49 136.94 50.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.4 p -136.82 162.63 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.7 p -129.18 176.28 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -79.85 -38.25 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.4 p -135.36 162.6 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.527 ' HA2' ' CD1' ' A' ' 85' ' ' TYR . . . -54.12 -29.62 44.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.514 ' CD ' ' N ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -66.46 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.723 0.297 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 105' ' ' LYS . 7.0 mt-10 -43.16 -23.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 105' ' ' LYS . 2.4 ttt -85.87 -45.7 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -56.19 -36.44 68.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.44 HD13 ' CE ' ' A' ' 105' ' ' LYS . 65.0 mt -69.45 -48.81 59.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.539 ' CD1' HD12 ' A' ' 27' ' ' LEU . 13.5 m95 -61.17 -50.61 72.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.2 mmm -57.91 -63.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 111' ' ' MET . 22.4 mmmt -35.92 -42.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.78 -62.8 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.45 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 32.4 mtt -41.63 -54.84 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.458 HD23 ' CB ' ' A' ' 72' ' ' ILE . 3.5 mm? -53.04 -38.33 62.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 119' ' ' LEU . 4.4 t70 -60.73 -29.52 69.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.46 ' HB1' ' CB ' ' A' ' 67' ' ' LEU . . . -89.34 -46.74 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.59 86.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.786 0.244 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -71.7 131.09 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.7 -56.09 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 ttm-85 -166.42 132.62 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -122.97 124.61 43.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.85 163.12 33.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -69.22 100.79 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.6 tp -103.17 150.7 23.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.498 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 60.6 m-85 -97.97 148.95 22.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.7 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.811 0.338 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -95.91 134.22 39.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.498 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 13.9 tttp -77.32 137.05 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.405 ' NH2' ' O ' ' A' ' 54' ' ' ARG . 3.7 tpm_? -158.86 151.95 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -77.11 118.16 19.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -114.17 157.0 23.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.1 t -148.24 130.97 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.46 103.23 12.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 t -148.9 147.79 29.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t0 57.9 32.8 22.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.2 mt 54.98 33.94 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 t -142.22 152.39 43.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.75 129.74 41.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -131.46 125.01 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 14.3 p90 -125.66 151.7 46.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -133.47 -174.96 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' ' NH2' ' A' ' 41' ' ' ARG . 46.0 mtt180 -65.42 -44.64 86.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -149.26 -177.86 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.36 -12.29 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 58' ' ' GLU . 56.2 mttt -71.42 -15.84 62.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 57' ' ' LYS . 1.1 pp20? 34.56 50.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -89.79 25.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.66 116.08 0.94 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.87 138.97 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -95.01 -24.26 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -178.43 132.05 1.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.2 p -96.02 147.67 23.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.0 mt -123.92 124.52 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -83.53 108.98 17.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.8 mt -66.78 -44.13 51.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.58 0.705 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -48.02 -25.43 6.43 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.42 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 13.8 m -92.08 -24.82 19.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 10.3 m-85 -81.11 163.98 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -127.96 108.37 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.456 ' CG2' ' SD ' ' A' ' 111' ' ' MET . 3.3 mm -80.6 108.49 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.39 136.29 29.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mt -49.53 151.19 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.942 0.401 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.77 150.24 52.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 1.8 p90 -132.94 169.75 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 pttm -132.31 138.67 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.37 120.96 43.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.94 131.8 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.512 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 25.4 t-80 -123.14 140.37 33.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.8 Cg_endo -74.48 -50.39 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -89.45 10.01 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.507 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.8 mtp -147.06 -177.46 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -86.8 -177.56 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -91.08 120.34 31.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -87.97 171.4 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -144.86 140.48 28.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.468 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 49.9 m-85 -138.36 159.83 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 15.0 p -162.5 161.43 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.7 p -134.04 -178.34 4.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -76.95 -43.24 35.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -134.06 175.7 9.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.52 99.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.66 -64.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -47.52 -20.34 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.413 ' SD ' ' N ' ' A' ' 108' ' ' GLU . 1.1 tmt? -87.35 -48.34 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.413 ' N ' ' SD ' ' A' ' 107' ' ' MET . 5.3 pt-20 -55.76 -39.35 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.9 mt -60.18 -47.77 84.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -67.27 -46.79 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.456 ' SD ' ' CG2' ' A' ' 72' ' ' ILE . 3.5 mmt -59.79 -62.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 111' ' ' MET . 5.8 mmmm -35.97 -43.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -77.82 -64.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.449 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 29.3 mtt -37.22 -53.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.57 -51.07 64.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.419 ' HA ' ' CD2' ' A' ' 119' ' ' LEU . 3.1 t70 -49.14 -31.56 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.401 ' HB1' ' CB ' ' A' ' 67' ' ' LEU . . . -86.05 -45.81 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.24 -54.28 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.848 0.27 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.6 t -78.39 118.79 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.6 t -70.12 -51.22 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.6 ttt-85 -161.89 130.25 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.462 ' CB ' HG21 ' A' ' 44' ' ' VAL . 21.0 ptt180 -129.53 117.42 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.472 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -158.38 154.45 25.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -62.95 97.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD13 ' CD1' ' A' ' 110' ' ' TRP . 42.2 tp -94.27 162.07 14.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.463 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 33.7 m-85 -110.4 121.59 45.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 27.9 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.809 0.338 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -147.39 140.5 25.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -83.8 130.02 34.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 16.0 tpp180 -155.39 153.41 30.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.472 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 40.6 t-105 -84.49 108.44 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 25.4 m-85 -101.97 164.22 11.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.462 HG21 ' CB ' ' A' ' 24' ' ' ARG . 52.4 t -156.51 128.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.64 98.5 9.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 p -137.29 156.28 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.0 t70 40.75 49.0 2.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mt 40.66 48.76 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 4.9 t -151.86 169.63 21.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.29 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 49' ' ' CYS . 81.1 m-85 -137.76 129.78 28.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.535 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 5.5 p90 -126.58 162.04 26.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -147.71 152.16 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.1 mtt180 -38.96 -46.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -143.21 -178.43 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -65.2 -13.99 59.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -63.0 -30.31 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 57.44 44.43 21.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.04 -45.41 92.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.42 118.09 0.81 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 53' ' ' TYR . 68.7 mt -53.56 125.54 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mt -81.83 -23.68 36.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.535 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 176.39 143.11 4.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 p -105.9 151.14 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.9 mt -127.03 122.99 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.49 110.13 16.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 16.2 mt -69.85 -42.64 18.74 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.4 Cg_exo -47.97 -25.74 6.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.41 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 59.9 m -92.12 -23.52 19.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 9.9 m-85 -82.96 156.19 23.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -119.79 106.06 11.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.26 116.7 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.96 141.64 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.03 133.68 55.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.533 ' CD1' ' HA2' ' A' ' 104' ' ' GLY . 94.8 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.911 0.386 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.01 147.62 34.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.4 p90 -128.86 -177.06 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -143.91 147.21 33.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB2' ' CD1' ' A' ' 70' ' ' PHE . . . -119.29 119.74 34.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.47 145.79 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 34.3 t-80 -139.83 140.05 23.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.579 0.704 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.2 Cg_endo -73.78 -48.87 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -89.81 10.14 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.472 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 45.0 mtm -147.52 -175.12 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -93.69 178.65 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.3 m -87.13 121.24 29.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -91.55 156.55 17.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -133.96 120.38 20.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -122.61 151.27 41.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 13.9 p -150.75 160.56 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.6 p -125.49 -177.53 3.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.97 -44.56 20.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.0 p -131.33 162.38 30.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.533 ' HA2' ' CD1' ' A' ' 85' ' ' TYR . . . -50.94 -35.66 32.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.473 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -59.65 -64.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -46.26 -21.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -83.5 -45.98 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.24 -34.17 74.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.24 -40.05 82.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.523 ' CD1' HD13 ' A' ' 27' ' ' LEU . 11.7 m95 -76.53 -37.94 55.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 5.2 mtp -65.53 -61.88 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -38.91 -39.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.06 -63.5 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 26.0 mtt -42.31 -54.23 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.9 -39.55 68.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.01 -26.38 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.1 -2.74 28.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -102.78 -36.62 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.547 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.836 0.265 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.36 130.47 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -74.84 -52.0 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 ttp85 -172.27 131.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -122.17 126.4 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.65 157.59 27.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.485 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 83.5 m95 -67.56 86.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.1 tp -86.71 156.35 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.545 ' CE1' ' HD3' ' A' ' 40' ' ' LYS . 72.4 m-85 -92.75 140.72 29.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HE3' ' CE2' ' A' ' 97' ' ' TYR . 7.3 tptm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CE3' ' SG ' ' A' ' 100' ' ' CYS . 80.0 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -122.4 137.79 54.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.545 ' HD3' ' CE1' ' A' ' 28' ' ' TYR . 8.3 tptm -88.77 117.41 27.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -137.31 169.53 17.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.485 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 43.3 t-105 -95.23 116.57 28.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -111.67 148.14 34.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.0 t -138.6 115.76 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.47 100.42 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -148.81 154.21 39.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t70 53.06 45.07 29.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt 41.45 42.24 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.2 m -151.32 173.12 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.5 mt -112.67 137.39 51.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -147.66 122.36 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.4 p90 -121.65 153.87 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.519 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -132.74 174.65 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -55.14 -46.28 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -156.14 -178.08 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -50.68 -23.57 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -55.66 -28.16 53.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 54.85 49.65 17.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -98.61 96.08 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.64 121.74 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.519 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 78.1 mt -71.63 131.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.16 -26.72 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.494 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 178.19 130.15 1.37 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.539 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.8 p -95.81 151.93 18.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.2 mt -131.24 127.98 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.55 112.37 22.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 16.4 mt -71.28 -42.62 11.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.625 0.726 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.8 Cg_exo -47.95 -23.69 4.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.5 m -93.23 -27.31 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 10.4 m-85 -77.37 168.41 20.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -130.56 108.64 10.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.5 mm -80.05 114.16 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.47 135.81 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mt -49.99 150.01 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 69.6 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 104' ' ' GLY . 70.5 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.928 0.394 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.9 158.31 33.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.588 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -133.8 -177.67 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 36.1 pttt -144.46 138.64 27.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.549 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -112.14 122.75 48.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.29 145.95 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 22.7 t-80 -135.19 140.52 34.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.44 -49.47 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -91.23 11.73 22.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.553 ' HE2' ' CZ ' ' A' ' 70' ' ' PHE . 23.9 mtp -148.17 -175.45 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -89.95 -178.69 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.3 m -90.14 118.6 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.402 ' CE2' ' HE3' ' A' ' 29' ' ' LYS . 2.8 m-85 -87.81 163.01 16.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -138.35 129.43 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -129.14 136.68 50.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.592 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 20.3 p -134.59 162.15 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.5 p -136.28 -175.51 4.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.179 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.3 -42.68 75.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 1.1 t -155.35 174.32 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.556 ' N ' ' CD1' ' A' ' 85' ' ' TYR . . . -44.31 -48.08 8.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.415 ' CE ' HD12 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -52.42 -64.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.75 -18.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.92 -42.56 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 5.0 pt-20 -59.28 -45.09 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.453 ' N ' ' CG ' ' A' ' 108' ' ' GLU . 41.1 mt -55.0 -37.04 66.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.1 m95 -79.43 -51.55 9.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 112' ' ' LYS . 7.6 mtp -53.88 -65.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 111' ' ' MET . 28.0 mmtt -34.28 -39.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.56 -60.76 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 36.3 mtt -43.78 -51.87 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -55.38 -37.43 67.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -24.89 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.6 -18.79 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.55 -48.85 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.52 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.849 0.27 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.68 123.3 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.31 -49.17 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -171.09 140.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.439 ' CB ' HG22 ' A' ' 44' ' ' VAL . 17.4 ptt180 -130.46 123.06 28.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.93 160.17 29.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -73.72 89.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.558 HD12 ' CD1' ' A' ' 110' ' ' TRP . 18.1 tp -87.39 153.86 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -100.38 129.3 46.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.9 m95 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -104.11 138.45 40.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -83.05 134.36 35.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -157.78 149.91 22.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.6 t-105 -76.87 105.53 8.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 41.5 m-85 -102.97 140.37 37.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 24' ' ' ARG . 77.5 t -131.39 137.13 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.57 99.85 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 p -141.82 155.46 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 48' ' ' LEU . 7.4 t70 44.96 54.86 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CA ' ' HB3' ' A' ' 117' ' ' ALA . 2.4 mm? 35.81 40.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 72.0 m -147.29 178.33 8.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -114.15 133.81 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -137.5 127.0 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 19.3 p90 -129.45 159.11 37.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -140.02 178.62 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -53.89 -49.47 68.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -153.67 -176.25 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.71 -30.35 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -49.11 -19.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 47.51 50.67 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -104.19 105.0 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.08 123.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.537 HG12 ' CE2' ' A' ' 53' ' ' TYR . 91.4 mt -78.34 134.79 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -15.79 38.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 172.31 137.5 2.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.3 p -104.41 145.7 29.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.916 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 39.9 mt -120.71 125.65 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.12 110.83 19.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.9 mt -68.6 -43.82 31.23 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 110.95 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.8 Cg_exo -47.96 -27.01 8.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 t -90.63 -23.9 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.569 ' CD1' ' HB1' ' A' ' 89' ' ' ALA . 10.4 m-85 -83.04 159.08 22.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -122.72 107.1 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mm -80.06 117.2 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.18 135.11 20.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -52.92 143.41 17.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.906 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.91 165.12 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.453 ' CG ' ' HE1' ' A' ' 111' ' ' MET . 2.3 p90 -142.33 -178.04 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -143.3 153.79 43.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -126.51 122.83 36.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.89 147.2 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 48.5 t-80 -139.36 139.84 23.97 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.598 0.714 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.6 Cg_endo -73.15 -49.25 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -91.41 15.76 11.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.517 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 32.9 mtm -153.51 -175.03 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -92.98 -176.38 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.2 m -91.2 124.13 35.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.55 164.41 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -138.24 141.41 39.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -143.18 137.42 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.4 p -137.89 159.12 42.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.1 p -130.8 179.96 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.68 -42.82 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.7 p -140.01 173.86 11.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.31 -36.17 74.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.541 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.466 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -59.25 -64.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -47.76 -19.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.43 -45.2 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.86 -38.66 79.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.466 HD11 ' CE ' ' A' ' 105' ' ' LYS . 34.3 mt -61.91 -35.58 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.558 ' CD1' HD12 ' A' ' 27' ' ' LEU . 19.8 m95 -80.33 -52.41 7.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.453 ' HE1' ' CG ' ' A' ' 87' ' ' PHE . 8.4 mtp -55.9 -65.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' MET . 45.7 mmtm -34.62 -39.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.52 -43.57 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.058 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 111' ' ' MET . 26.3 mtt -59.08 -54.42 47.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.56 -33.72 55.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -63.44 -36.13 82.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.461 ' HB3' ' CA ' ' A' ' 48' ' ' LEU . . . -84.33 -50.77 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.03 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo . . . . . 0 N--CA 1.465 -0.154 0 CA-C-O 120.82 0.258 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.6 t -98.41 124.25 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.3 -54.19 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 24' ' ' ARG . 18.1 tpp180 -166.66 154.94 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 42.4 ptt85 -141.89 114.62 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.78 150.51 22.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.446 ' CG ' ' HE3' ' A' ' 40' ' ' LYS . 91.0 m95 -57.85 96.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 24.2 tp -91.76 153.35 19.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -104.4 113.96 27.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.891 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.4 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.897 0.38 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -109.64 148.54 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HE3' ' CG ' ' A' ' 26' ' ' TRP . 28.3 tptt -97.44 120.84 38.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttp-105 -154.88 166.83 32.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -83.53 128.74 34.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 35.2 m-85 -128.83 135.22 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.3 t -128.62 134.4 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.99 99.39 9.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 p -138.13 156.82 47.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.6 t70 43.12 45.24 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mp 43.79 44.14 5.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.8 t -145.77 166.09 26.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.85 126.15 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -128.27 140.33 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 4.5 p90 -136.46 150.04 48.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.56 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -136.83 150.64 48.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -33.18 -36.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 0.9 OUTLIER -168.93 177.71 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -44.28 -32.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -41.08 -28.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.457 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 30.1 mt-10 60.26 41.81 16.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 60' ' ' GLY . 7.6 mt-10 -75.61 -176.27 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -34.89 103.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.558 HG12 ' CE2' ' A' ' 53' ' ' TYR . 56.6 mt -40.5 134.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 111.14 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.476 ' CD2' ' HG3' ' A' ' 54' ' ' ARG . 1.7 mt -84.67 -31.16 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -178.4 147.27 7.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.0 p -107.35 161.55 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 52.1 mt -135.49 123.25 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.07 115.14 21.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 20.6 mt -76.77 -42.04 2.81 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.603 0.716 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -47.96 -24.52 5.32 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.409 ' HB2' ' NE2' ' A' ' 91' ' ' HIS . 32.9 p -94.18 -22.17 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.565 ' CD1' ' HB1' ' A' ' 89' ' ' ALA . 8.3 m-85 -83.15 157.78 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -121.11 106.47 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 mm -80.17 119.04 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.95 134.29 18.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mt -43.56 146.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 42.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.902 0.382 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.463 ' HB2' ' CB ' ' A' ' 100' ' ' CYS . . . -144.33 161.4 39.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -143.84 -177.83 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.2 pttp -142.51 145.23 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -117.22 117.1 28.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.11 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.79 144.21 25.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 17.2 t-80 -131.89 140.58 38.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.65 -45.65 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -96.9 11.03 37.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.516 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.0 mtp -148.01 -177.8 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -84.39 -175.95 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.9 m -99.53 119.75 38.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.413 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 2.8 m-85 -87.82 168.41 12.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 88' ' ' LYS . 28.8 m-85 -145.99 127.45 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -126.86 152.79 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 86' ' ' ALA . 17.5 p -147.62 159.95 43.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.411 ' HB ' ' CB ' ' A' ' 106' ' ' GLU . 50.8 p -127.39 -175.09 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.38 -44.33 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.0 p -131.06 171.58 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.55 -40.24 77.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -55.47 -61.96 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.298 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.411 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 11.5 mm-40 -49.5 -20.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 6.5 ttt -89.31 -38.56 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -69.0 -35.16 76.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.28 -40.6 86.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.432 ' CD1' HD11 ' A' ' 27' ' ' LEU . 20.7 m95 -76.06 -47.83 23.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 112' ' ' LYS . 11.8 mmm -60.06 -62.66 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' MET . 14.6 mmtp -34.8 -42.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.65 -63.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 118' ' ' ALA . 27.0 mtt -39.06 -55.74 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.65 -38.62 60.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.65 -38.78 73.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.55 -17.03 49.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 114' ' ' MET . . . -90.27 -44.81 9.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.842 0.268 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.9 t -94.11 122.14 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.26 -52.78 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 23' ' ' ARG . 17.7 ttm105 -167.42 140.24 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -130.67 127.3 38.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.41 160.08 31.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.517 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 92.5 m95 -72.96 90.12 1.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.83 0.347 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.556 ' HB3' ' CD2' ' A' ' 43' ' ' PHE . 35.2 tp -85.9 161.66 18.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.439 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 50.0 m-85 -111.33 128.02 55.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.895 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.9 m95 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.816 0.341 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -124.56 146.1 49.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -89.0 125.64 35.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -149.7 157.83 43.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 33.3 t-105 -88.93 106.5 18.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 14.1 m-85 -101.2 151.89 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -144.98 132.25 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.04 101.29 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -139.4 145.68 39.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 49.03 49.18 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.3 mt 40.59 44.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.8 t -148.7 163.2 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -101.0 135.94 41.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -142.05 122.29 13.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.485 ' CE2' ' O ' ' A' ' 63' ' ' GLY . 31.7 p90 -124.43 148.07 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -126.68 -178.31 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 ptt85 -76.67 -22.93 53.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -163.95 174.53 11.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.71 -8.03 5.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -69.24 -21.36 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . 28.5 mt-10 48.56 53.42 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -107.23 70.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.67 106.79 2.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 96.0 mt -65.63 130.12 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.27 -30.19 57.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.485 ' O ' ' CE2' ' A' ' 52' ' ' TYR . . . -177.31 137.85 3.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.434 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -102.03 147.83 26.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.4 mt -124.87 122.27 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.33 111.0 16.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.6 mt -69.94 -43.04 19.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.6 Cg_exo -47.95 -24.07 4.87 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.412 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 62.4 m -93.97 -22.47 18.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 10.1 m-85 -83.73 162.36 20.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.53 108.24 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 mm -80.28 114.41 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.63 135.72 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.47 134.26 50.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.842 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.917 0.389 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' HB3' ' CB ' ' A' ' 100' ' ' CYS . . . -126.28 169.85 12.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -135.1 -177.79 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -142.38 150.86 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.486 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -121.49 119.27 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.27 141.9 28.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.062 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 24.2 t-80 -134.11 140.33 35.83 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.633 0.73 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.503 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.38 -49.25 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -91.18 9.79 29.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.537 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 28.8 mtp -147.7 -176.54 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -89.63 179.95 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.0 m -90.74 121.0 32.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -87.76 163.71 16.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -139.56 127.12 21.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -129.24 147.7 51.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.413 ' CB ' ' HB3' ' A' ' 86' ' ' ALA . 8.3 p -144.11 162.72 35.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.5 p -130.34 -177.57 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -42.51 24.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -136.79 175.95 9.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.79 -37.59 90.57 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -58.57 -64.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -45.4 -21.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.7 ttt -87.38 -47.81 8.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.11 -28.8 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.463 ' HB3' ' NE ' ' A' ' 23' ' ' ARG . 67.9 mt -74.64 -32.11 62.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -82.45 -43.42 17.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.8 mtp -63.75 -61.84 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' MET . 7.3 mmmm -37.52 -41.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.24 -61.4 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 22.9 mtt -43.03 -56.41 3.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -50.9 -39.98 55.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.9 -33.51 68.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.73 -47.84 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.31 -54.58 41.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 C--O 1.232 0.208 0 CA-C-O 120.829 0.262 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -98.34 125.74 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.84 -57.29 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -169.53 134.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.79 132.38 54.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.19 152.12 22.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.406 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 78.9 m95 -61.42 98.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.332 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HB3' ' CD2' ' A' ' 43' ' ' PHE . 22.0 tp -102.14 154.83 18.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -105.35 145.71 30.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.2 m95 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.781 0.324 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -100.15 151.39 21.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -95.91 114.83 26.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mmt-85 -141.7 144.15 33.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.408 ' O ' ' CB ' ' A' ' 52' ' ' TYR . 23.0 t-105 -69.47 131.21 44.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.416 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 36.9 m-85 -126.8 137.0 53.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.9 t -131.58 129.21 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.05 100.27 11.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.87 153.29 40.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t70 54.47 34.95 22.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 2.1 mm? 52.01 37.2 20.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 t -146.44 163.61 35.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -99.03 126.9 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -132.11 125.45 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 29.6 p90 -128.3 158.78 37.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -135.33 -177.75 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.94 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -63.44 -30.68 71.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -165.81 178.72 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -50.78 -30.72 14.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -27.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 27.3 mt-10 56.09 43.69 26.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -103.19 95.72 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.45 113.76 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.408 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 96.6 mt -76.49 125.12 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 62' ' ' LEU . 1.1 mt -72.46 -30.9 64.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -179.11 140.08 4.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.427 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.4 p -98.62 152.95 19.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 51.4 mt -130.9 124.46 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.187 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.11 115.76 21.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.624 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.1 mt -73.74 -43.34 6.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.5 Cg_exo -47.96 -25.14 5.95 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.408 ' HB2' ' NE2' ' A' ' 91' ' ' HIS . 46.1 p -92.16 -23.84 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.521 ' CD1' ' HB1' ' A' ' 89' ' ' ALA . 9.3 m-85 -84.51 148.52 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -111.2 109.59 19.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.442 ' CB ' HD23 ' A' ' 115' ' ' LEU . 4.5 mm -80.2 117.17 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.25 137.03 20.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.26 142.58 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.836 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.938 0.399 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' A' ' 100' ' ' CYS . . . -132.23 169.7 16.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.1 p90 -141.51 -177.22 5.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -145.84 138.69 25.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.521 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -110.77 120.22 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.81 144.77 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 19.8 t-80 -129.79 140.3 38.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.0 Cg_endo -73.37 -46.56 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -95.62 9.79 39.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.512 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.8 mtp -147.82 -179.88 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -82.7 -175.21 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.8 m -96.89 122.65 40.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -88.18 168.24 12.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.7 138.55 32.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -143.5 138.2 29.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 86' ' ' ALA . 8.3 p -133.74 162.03 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.5 p -127.3 -175.38 3.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.61 -40.74 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -131.24 170.3 14.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.42 -46.72 79.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 107' ' ' MET . 7.8 tppt? -53.23 -64.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -40.24 -26.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' LYS . 2.3 ttt -87.24 -40.67 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.6 pt-20 -64.65 -39.47 93.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.2 mt -66.03 -39.37 90.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -74.33 -41.71 60.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' LYS . 6.0 mtt -66.09 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' MET . 19.8 mmmt -37.23 -41.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -77.03 -63.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.1 mtt -38.3 -50.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.442 HD23 ' CB ' ' A' ' 72' ' ' ILE . 3.8 mm? -57.5 -37.43 72.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 113' ' ' ALA . 5.9 t0 -54.17 -43.54 70.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.69 -50.5 8.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.64 -47.06 58.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.809 0.254 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -112.05 124.22 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.81 -59.89 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -161.76 142.02 10.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -132.34 122.88 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.408 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -152.79 168.9 31.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -81.51 99.22 8.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.6 tp -99.63 149.14 23.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -94.4 127.16 40.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 tttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.442 ' CE3' ' SG ' ' A' ' 100' ' ' CYS . 85.5 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -118.61 141.1 48.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -86.21 135.2 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -159.36 142.16 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.41 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 26.5 t-105 -72.49 119.89 17.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -115.46 151.89 33.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.3 t -143.19 132.65 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.55 105.94 16.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -141.84 151.59 42.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 t70 43.51 37.74 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 1.8 mm? 52.51 41.68 31.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.583 ' SG ' ' CZ ' ' A' ' 51' ' ' PHE . 46.4 t -142.42 154.45 44.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 mt -94.31 130.48 40.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.583 ' CZ ' ' SG ' ' A' ' 49' ' ' CYS . 56.1 m-85 -141.73 131.61 24.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.7 p90 -131.99 164.71 25.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -144.64 160.19 41.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.2 -44.53 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -147.42 -175.33 4.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.9 pt-20 -66.14 -12.48 56.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -54.44 -23.96 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.05 53.89 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -121.89 103.27 8.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.05 119.26 0.1 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.447 HG12 ' CE2' ' A' ' 53' ' ' TYR . 80.7 mt -79.97 129.77 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.11 -28.69 35.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -179.41 130.65 1.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -98.54 148.18 24.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.9 mt -125.87 123.34 63.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.24 110.6 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.0 mt -70.15 -42.21 16.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.6 Cg_exo -47.94 -25.18 5.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.41 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 10.7 m -92.67 -25.58 18.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.558 ' CD1' ' HB1' ' A' ' 89' ' ' ALA . 10.3 m-85 -79.9 162.13 25.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -123.82 106.98 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 mm -80.84 115.03 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.42 139.63 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -51.28 135.03 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 50.2 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.888 0.375 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -125.2 164.73 19.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -134.47 175.67 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.2 pttp -134.89 151.35 50.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -122.24 119.95 32.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.07 137.76 32.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 13.5 t-80 -125.07 140.75 36.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.76 -49.18 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -92.04 6.64 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.498 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 26.3 mtp -144.44 -178.93 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -175.0 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.6 m -93.85 120.82 34.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -87.79 169.88 11.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -141.76 139.57 32.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -143.5 138.14 29.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.442 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 21.5 p -133.66 161.78 33.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.0 p -127.62 -175.13 3.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -87.43 -38.24 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.2 p -139.73 178.62 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.06 -32.78 85.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -65.84 -62.2 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -46.36 -20.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.3 ttt -88.02 -41.56 13.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -64.38 -40.67 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.55 -34.79 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -79.68 -44.67 20.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' LYS . 8.0 mtp -62.43 -63.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' MET . 15.1 mmtp -36.64 -42.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -78.32 -62.66 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 37.5 mtt -39.78 -56.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.64 -36.22 45.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.412 ' HA ' ' CD2' ' A' ' 119' ' ' LEU . 3.7 t70 -56.59 -33.6 66.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.32 -48.28 8.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.53 -47.87 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.818 0.257 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.5 t -79.71 124.22 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.7 t -63.43 -51.59 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 109' ' ' LEU . 5.2 ttp-105 -173.68 140.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -126.6 124.44 39.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.67 158.77 28.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -70.81 97.02 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.542 HD13 ' CD1' ' A' ' 110' ' ' TRP . 13.6 tp -96.79 141.14 30.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -88.3 141.17 28.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 179.9 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.42 ' C ' ' HE2' ' A' ' 39' ' ' LYS . 44.2 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HE2' ' C ' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -97.98 147.7 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -82.2 136.29 35.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -157.99 147.33 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -81.38 106.87 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 22.0 m-85 -104.85 138.96 40.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.9 t -130.39 131.52 65.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.27 101.47 12.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -140.77 152.79 45.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 43.6 53.51 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.444 ' CA ' ' HB1' ' A' ' 117' ' ' ALA . 3.0 mm? 36.41 49.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 86.7 m -151.74 175.98 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -117.4 136.83 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -141.86 135.96 30.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -133.53 146.42 51.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -131.05 168.01 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 89.3 mtt180 -49.28 -46.87 46.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -153.4 -179.78 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -55.2 -16.17 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -58.81 -11.19 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 40.97 51.38 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -112.66 114.08 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.71 113.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.506 HG12 ' CE2' ' A' ' 53' ' ' TYR . 69.2 mt -75.9 130.08 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.422 ' CD2' ' HG3' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -77.91 -24.83 48.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.92 144.34 5.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.9 p -107.16 146.37 31.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.1 mt -120.87 124.95 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.85 109.38 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.603 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.7 mt -66.61 -44.26 54.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.586 0.708 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.7 Cg_exo -47.95 -25.04 5.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.404 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 30.5 m -92.51 -21.78 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 9.9 m-85 -85.46 164.64 17.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -126.93 107.53 10.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.43 ' CB ' HD21 ' A' ' 115' ' ' LEU . 4.3 mm -80.24 112.73 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.28 137.79 22.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -50.11 152.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.8 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.408 ' HB1' ' CB ' ' A' ' 100' ' ' CYS . . . -116.94 147.48 42.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -127.16 -176.17 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -143.45 148.53 36.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.527 ' HB2' ' CD1' ' A' ' 70' ' ' PHE . . . -119.39 119.91 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.135 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.54 136.35 33.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 16.7 t-80 -124.37 140.62 35.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -73.95 -48.37 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -93.21 9.31 36.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.51 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.5 mtp -146.52 179.55 7.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 95' ' ' ARG . 3.5 ptm85 -83.0 -175.87 6.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.0 m -94.0 120.87 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -87.79 161.78 17.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -133.94 127.62 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -128.5 140.92 51.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.408 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . 13.0 p -136.01 162.01 34.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.6 p -133.44 -177.64 4.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.1 -44.71 25.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.8 t -143.68 -175.12 4.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.79 -42.08 97.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -53.83 -64.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.303 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -47.59 -23.7 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.8 ttp -85.71 -40.73 15.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.98 -33.36 74.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 23' ' ' ARG . 71.4 mt -69.7 -32.09 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.542 ' CD1' HD13 ' A' ' 27' ' ' LEU . 17.1 m95 -84.99 -43.67 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' LYS . 3.5 mtt -59.16 -67.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' MET . 1.4 mmpt? -34.31 -45.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.27 -63.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 26.5 mtt -41.69 -54.71 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.43 HD21 ' CB ' ' A' ' 72' ' ' ILE . 3.8 mm? -52.95 -38.45 62.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.42 ' HA ' ' CD2' ' A' ' 119' ' ' LEU . 4.5 t0 -55.43 -42.16 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.444 ' HB1' ' CA ' ' A' ' 48' ' ' LEU . . . -81.61 -52.19 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.24 -50.87 48.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.42 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 1.6 pp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.864 0.277 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -52.97 128.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -72.96 -50.66 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -173.08 143.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -132.64 131.42 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.59 157.97 29.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.466 ' HB3' ' CE ' ' A' ' 40' ' ' LYS . 87.3 m95 -66.32 101.2 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.518 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 30.2 tp -100.41 161.2 13.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 6.1 m-30 -107.3 121.1 43.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 32.3 m95 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 1.3 mptp? -96.25 119.86 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HG2' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -73.26 130.25 39.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -153.17 173.0 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 30.0 t-105 -90.28 129.81 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 21.0 m-85 -123.63 158.47 31.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -150.23 135.42 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.65 98.15 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -138.46 156.25 47.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.02 32.7 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.4 mt 54.71 34.53 21.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 60.1 m -138.82 177.18 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -108.27 135.39 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -144.15 127.09 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 17.6 p90 -128.13 159.85 33.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.564 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -141.75 162.79 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.929 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -41.15 -49.73 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.78 -177.15 5.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.61 -18.42 11.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -59.46 -14.23 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 45.36 50.84 9.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.56 91.2 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.23 128.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 53' ' ' TYR . 94.1 mt -81.78 130.17 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.07 -29.05 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.41 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -173.82 141.56 6.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 p -108.75 150.26 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.0 mt -129.54 131.26 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.74 111.33 21.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.654 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 32.8 mt -72.81 -41.14 6.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.654 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 63.8 Cg_exo -47.92 -25.93 6.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.413 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 25.1 m -93.45 -25.49 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 9.3 m-85 -79.65 154.09 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -119.18 110.15 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.401 ' CB ' HD22 ' A' ' 115' ' ' LEU . 2.4 mm -80.2 120.17 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.57 135.99 21.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.79 135.04 51.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.925 0.393 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.82 162.64 26.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.3 p90 -131.42 -177.17 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -144.89 152.18 39.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.535 ' HB3' ' CD1' ' A' ' 70' ' ' PHE . . . -122.96 122.02 37.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.6 142.41 27.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 16.8 t-80 -132.13 139.62 35.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.731 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.63 -50.08 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -89.61 5.25 46.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.487 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 22.5 mtp -144.12 -176.97 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -88.64 -177.35 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.2 m -92.57 125.22 37.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -91.37 172.46 8.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -146.65 138.97 24.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -141.11 148.57 40.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 p -145.42 159.52 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.1 p -129.32 178.16 6.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -46.76 58.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.6 p -131.05 179.24 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.64 99.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.542 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.472 ' CD ' HD12 ' A' ' 109' ' ' LEU . 3.4 tmmm? -58.01 -61.11 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -46.89 -20.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.45 -41.13 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 4.5 pt-20 -61.65 -46.3 90.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.472 HD12 ' CD ' ' A' ' 105' ' ' LYS . 15.3 mt -52.36 -38.35 58.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -78.13 -48.1 16.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 112' ' ' LYS . 16.3 mtp -58.88 -61.5 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 111' ' ' MET . 26.9 mmtm -38.07 -39.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.18 -61.92 1.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 41.0 mtt -42.9 -57.8 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.401 HD22 ' CB ' ' A' ' 72' ' ' ILE . 4.3 mm? -46.23 -34.09 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -78.46 -31.68 48.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.89 -15.07 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -93.64 -47.39 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.864 0.277 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.19 130.17 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.0 t -72.23 -50.03 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -174.94 136.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -124.26 129.33 50.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.39 153.46 24.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.439 ' CD2' ' HE3' ' A' ' 40' ' ' LYS . 96.7 m95 -61.69 100.85 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.2 tp -100.47 146.01 27.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -94.9 136.98 34.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.7 m95 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.83 0.347 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -95.91 165.87 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.439 ' HE3' ' CD2' ' A' ' 26' ' ' TRP . 35.9 tptt -116.96 125.85 52.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 54' ' ' ARG . 1.6 tpm_? -156.79 155.01 30.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.494 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 55.3 t-105 -80.11 123.45 27.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -115.8 164.01 15.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.1 t -152.19 136.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.35 99.27 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 t -142.64 151.14 41.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.08 38.6 24.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.8 mt 49.67 38.82 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.454 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 6.3 t -143.39 169.4 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -109.45 132.98 53.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 49' ' ' CYS . 78.8 m-85 -142.1 135.45 29.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE2' ' O ' ' A' ' 63' ' ' GLY . 19.9 p90 -133.64 161.45 34.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -143.93 158.95 43.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' NH2' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -35.76 -50.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -145.53 176.08 9.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.494 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 7.4 pt-20 -52.06 -24.89 7.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -49.29 -23.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 60.9 40.97 14.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -92.3 101.61 14.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.64 133.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.484 HG12 ' CE2' ' A' ' 53' ' ' TYR . 94.6 mt -84.81 131.29 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.44 -12.3 52.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.506 ' O ' ' CE2' ' A' ' 52' ' ' TYR . . . 167.98 135.53 1.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.4 p -104.62 151.22 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.2 mt -130.7 127.73 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.46 110.9 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 12.0 mt -69.0 -43.74 26.74 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.3 Cg_exo -47.99 -26.87 8.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.417 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 50.8 m -91.18 -21.21 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 89' ' ' ALA . 8.8 m-85 -86.59 152.8 22.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -116.81 108.69 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.417 ' CG2' HD21 ' A' ' 115' ' ' LEU . 5.9 mm -80.08 120.05 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.83 133.95 16.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.55 137.89 18.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.414 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 2.0 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.885 0.374 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.97 158.89 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -136.84 178.15 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -133.91 154.1 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.571 ' HB2' ' CD1' ' A' ' 70' ' ' PHE . . . -124.5 122.64 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.03 142.67 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 49.7 t-80 -137.98 140.0 27.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.5 Cg_endo -73.3 -50.28 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -90.4 15.65 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 70' ' ' PHE . 38.8 mtm -152.31 -174.99 5.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.33 -177.52 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.3 m -88.94 126.96 35.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 3.0 m-85 -96.57 171.87 8.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 33.3 m-85 -146.39 133.25 20.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -138.11 141.31 40.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.5 p -131.81 162.71 29.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.3 p -129.48 177.19 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.63 -39.28 62.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 0.1 OUTLIER -147.88 171.15 16.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 103' ' ' THR . . . -52.53 -34.44 42.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.466 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.577 ' CD ' ' N ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -60.12 -64.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 105' ' ' LYS . 6.3 mt-10 -46.93 -20.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.9 ttt -89.08 -39.81 13.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.86 -38.11 81.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.457 HD12 ' CE ' ' A' ' 105' ' ' LYS . 64.7 mt -67.37 -51.8 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -60.99 -48.0 83.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.8 mtt -57.66 -59.42 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -39.65 -41.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -79.98 -66.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 113' ' ' ALA . 23.2 mtt -36.68 -58.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.417 HD21 ' CG2' ' A' ' 72' ' ' ILE . 4.4 mm? -52.38 -41.55 63.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.1 t70 -71.03 -24.8 62.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.81 -2.5 37.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.84 -43.77 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.541 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.791 0.246 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.12 123.15 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.33 -56.44 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -167.51 142.34 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -133.07 127.86 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.78 158.03 28.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.577 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 81.8 m95 -70.19 89.45 0.64 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.42 ' HB3' ' CD2' ' A' ' 43' ' ' PHE . 52.9 tp -88.44 157.66 18.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -101.27 134.3 44.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.894 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.4 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.807 0.336 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -114.58 151.16 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -93.1 138.83 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.7 tpp85 -158.71 152.42 23.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.577 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 21.9 t-105 -78.38 123.24 26.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 31.6 m-85 -119.34 166.13 13.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -156.16 132.32 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.54 97.95 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -135.01 149.68 50.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.2 t0 45.12 45.12 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 46.42 46.29 13.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 34.3 t -149.89 158.4 44.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.7 mt -97.74 137.87 35.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -144.93 124.56 13.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 21.2 p90 -127.55 160.6 31.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -139.89 178.71 7.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.946 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -54.66 -48.87 71.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 10.3 p30 -153.43 -175.54 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -49.48 -32.17 11.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' CB ' ' HG3' ' A' ' 59' ' ' GLU . 6.2 mmmm -47.46 -25.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 55.47 41.07 31.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 57' ' ' LYS . 6.2 mt-10 -91.77 108.22 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.02 133.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.532 HG12 ' CE2' ' A' ' 53' ' ' TYR . 61.0 mt -86.57 125.94 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.02 -34.46 59.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.54 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -169.44 140.31 6.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 p -104.86 148.01 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.9 mt -126.31 125.26 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.04 110.68 19.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.5 mt -67.64 -43.99 42.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.4 Cg_exo -47.98 -25.4 6.32 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.712 2.275 . . . . 0.0 112.379 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.418 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 61.6 m -92.44 -21.67 20.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 9.6 m-85 -85.33 153.77 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -116.51 107.91 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.433 ' CG2' ' SD ' ' A' ' 111' ' ' MET . 5.0 mm -80.14 111.09 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.52 134.34 25.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.81 135.79 47.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.27 154.8 50.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.9 p90 -131.5 172.6 12.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -134.43 151.91 51.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.545 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -121.3 120.15 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.65 137.59 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 43.3 t-80 -129.07 139.84 36.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.565 0.698 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.8 Cg_endo -73.46 -48.71 0.24 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -92.88 17.54 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.499 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 28.3 mtm -154.7 -178.13 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 2.5 ptp180 -87.27 178.67 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 m -88.75 120.56 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -88.93 165.07 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -143.6 131.76 21.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -134.36 144.62 48.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 17.4 p -137.3 162.32 33.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.4 p -130.85 -178.38 4.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -43.5 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 4.7 t -142.94 -179.8 6.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.435 ' N ' ' OG1' ' A' ' 103' ' ' THR . . . -57.42 -40.79 92.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.417 ' HE2' ' CD1' ' A' ' 109' ' ' LEU . 2.8 tmtt? -56.76 -64.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.734 0.302 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -46.66 -20.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 ttt -88.32 -41.97 12.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -62.06 -35.16 77.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.417 ' CD1' ' HE2' ' A' ' 105' ' ' LYS . 39.4 mt -64.91 -41.53 95.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -75.58 -51.38 13.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.433 ' SD ' ' CG2' ' A' ' 72' ' ' ILE . 14.4 mmm -57.05 -59.35 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 111' ' ' MET . 27.4 mmtm -37.85 -41.29 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -82.88 -65.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 113' ' ' ALA . 29.6 mtt -34.33 -56.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.48 -41.55 60.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 113' ' ' ALA . 7.5 t0 -58.7 -27.33 64.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.428 ' HB3' ' CB ' ' A' ' 67' ' ' LEU . . . -91.07 -45.18 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 119' ' ' LEU . . . -61.8 -52.35 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.445 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 1.2 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.88 0.283 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.7 125.27 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.49 -48.31 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -174.94 145.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' N ' ' HD3' ' A' ' 23' ' ' ARG . 14.5 ptt180 -135.34 128.46 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.11 156.01 27.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.553 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 82.6 m95 -65.97 92.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD12 ' CD1' ' A' ' 110' ' ' TRP . 27.0 tp -85.03 160.59 19.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -109.0 128.82 55.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 21.0 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -138.6 145.69 40.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -80.74 128.74 33.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -151.91 145.37 24.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.553 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 22.2 t-105 -75.28 135.1 40.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -135.96 150.08 49.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -139.22 126.64 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.5 100.52 12.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -144.55 154.43 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t70 47.03 42.13 12.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.597 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER 45.82 42.55 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.9 m -146.06 169.2 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -107.67 134.02 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -141.34 128.04 20.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 42' ' ' TRP . 21.0 p90 -131.18 156.39 45.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -131.65 175.48 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -60.32 -34.32 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -161.36 -178.34 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.62 -34.35 58.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -48.17 -26.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.528 ' HG2' ' CD1' ' A' ' 53' ' ' TYR . 40.8 mt-10 52.08 45.98 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -101.46 81.82 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.41 114.92 3.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.416 HG12 ' CE2' ' A' ' 53' ' ' TYR . 96.3 mt -76.81 123.95 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -71.85 -30.85 65.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.33 144.52 6.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.442 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 p -104.72 153.44 21.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.3 mt -130.34 124.92 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.62 107.95 16.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 17.3 mt -68.44 -42.43 27.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 66.3 Cg_exo -48.08 -24.86 5.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.419 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 56.3 m -94.56 -21.33 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 9.8 m-85 -83.12 162.18 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -127.31 109.37 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.1 mm -80.09 120.93 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.23 141.45 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.44 ' N ' HD21 ' A' ' 74' ' ' LEU . 3.6 mm? -63.57 136.01 57.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.903 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.49 ' CD2' ' HA2' ' A' ' 104' ' ' GLY . 15.3 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.93 0.395 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.42 148.66 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 3.6 p90 -139.33 166.8 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -134.33 152.93 52.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.486 ' HB3' ' CD1' ' A' ' 70' ' ' PHE . . . -118.68 129.3 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.88 142.64 30.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 25.7 t-80 -136.9 140.27 31.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -74.09 -48.86 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -90.91 11.23 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.477 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 44.8 mtm -148.29 -175.72 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -91.82 -177.79 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 m -91.55 122.63 34.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -88.81 173.16 8.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -148.59 131.02 15.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.497 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 12.4 m-85 -136.13 133.91 37.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.79 162.78 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.1 p -129.13 -175.41 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.92 -26.74 20.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.74 173.96 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.49 ' HA2' ' CD2' ' A' ' 85' ' ' TYR . . . -57.54 -53.2 46.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' GLU . 6.4 tmtt? -49.54 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.731 0.3 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -42.36 -24.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 105' ' ' LYS . 3.1 ttt -90.07 -37.07 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.7 pt-20 -63.23 -35.1 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.7 mt -66.18 -38.86 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.511 ' CD1' HD12 ' A' ' 27' ' ' LEU . 19.3 m95 -75.27 -51.0 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 112' ' ' LYS . 18.7 mtp -57.13 -64.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 111' ' ' MET . 27.6 mmtt -34.14 -40.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.83 -60.85 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 118' ' ' ALA . 36.9 mtt -44.64 -54.97 5.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.22 -34.14 30.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.55 -31.39 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.419 ' HB1' ' CA ' ' A' ' 48' ' ' LEU . . . -87.94 -9.84 52.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 114' ' ' MET . . . -99.64 -46.74 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.813 0.255 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -81.11 115.78 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.67 -48.22 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -172.15 144.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -139.18 127.94 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.53 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -161.29 161.13 32.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.519 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 96.1 m95 -71.29 96.16 1.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 110' ' ' TRP . 36.9 tp -97.72 155.96 16.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 41.1 m-85 -103.44 132.5 49.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 58.2 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -119.19 142.2 48.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 66.8 tttt -87.93 137.61 32.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -161.02 144.16 12.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.53 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 23.0 t-105 -70.1 113.25 7.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 26.5 m-85 -109.95 148.08 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.1 t -138.43 136.98 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.06 98.02 7.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 p -134.07 154.79 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.6 t0 45.88 34.3 1.87 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 1.2 mm? 54.9 38.84 31.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.5 m -139.71 176.95 8.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -112.34 129.86 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -140.48 125.3 18.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 12.0 p90 -124.71 154.25 41.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -134.48 176.21 8.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.957 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.6 mtt-85 -58.98 -44.2 91.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -157.06 -176.9 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -52.87 -22.11 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -22.17 12.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 52.46 34.74 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -85.38 98.84 10.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.2 141.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.479 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 86.4 mt -91.76 129.55 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mt -78.29 -24.27 46.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.514 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 178.78 138.52 3.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -105.8 150.1 25.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.813 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.5 mt -128.78 126.13 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.07 110.11 18.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 17.3 mt -69.49 -42.49 20.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.544 0.688 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -48.01 -23.95 4.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.419 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 19.5 m -94.02 -24.89 17.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 9.7 m-85 -80.21 157.91 26.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -119.95 106.5 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.83 119.23 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.09 141.31 21.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.408 ' CD2' ' HE1' ' A' ' 111' ' ' MET . 1.2 mm? -58.28 133.11 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.869 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.922 0.391 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.12 157.74 42.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.8 p90 -133.46 179.1 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -139.0 154.99 48.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB3' ' CD1' ' A' ' 70' ' ' PHE . . . -123.14 127.99 49.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.66 132.89 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.54 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 30.1 t-80 -127.18 140.16 37.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.699 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.502 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.63 -49.49 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -88.65 9.52 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.434 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.7 mtm -148.68 -178.14 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -87.78 -178.0 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.8 m -89.64 121.19 31.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -90.4 165.02 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -139.98 134.82 32.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -135.79 139.09 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 16.3 p -136.59 161.77 34.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 p -129.39 -179.95 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -88.23 -33.26 18.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -134.45 176.34 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.52 -44.64 89.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER -56.36 -61.1 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.746 0.308 . . . . 0.0 110.861 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -43.67 -22.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.6 ttt -89.5 -33.83 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.3 pt-20 -69.54 -42.28 74.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.419 ' CD1' ' CD ' ' A' ' 105' ' ' LYS . 49.9 mt -62.18 -35.0 77.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.548 ' CD1' HD11 ' A' ' 27' ' ' LEU . 9.3 m95 -77.49 -45.63 24.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 112' ' ' LYS . 6.7 mtp -61.55 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 111' ' ' MET . 23.8 mmtp -35.1 -43.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -77.28 -66.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 113' ' ' ALA . 19.2 mtt -36.55 -56.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -49.37 -56.54 9.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -48.18 -25.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.94 -21.22 17.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.47 -54.62 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.54 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.883 0.285 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.89 125.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -68.36 -58.15 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -166.89 133.33 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.458 ' CB ' HG22 ' A' ' 44' ' ' VAL . 6.0 ptt-85 -125.91 122.65 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.52 156.87 27.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.495 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 93.4 m95 -64.68 101.59 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 19.5 tp -105.62 152.45 23.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 40' ' ' LYS . 58.5 m-85 -96.13 135.18 38.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.881 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.5 m95 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -96.46 149.97 21.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 28' ' ' TYR . 5.8 tptm -85.0 121.75 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -136.92 155.14 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.495 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 43.0 t-105 -86.64 122.87 31.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 43.4 m-85 -119.82 163.96 16.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.458 HG22 ' CB ' ' A' ' 24' ' ' ARG . 78.4 t -153.1 125.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.92 98.15 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 t -134.2 156.66 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.4 t0 41.13 39.73 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 1.1 mm? 50.67 43.42 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 65' ' ' ILE . 16.5 t -145.88 163.52 34.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -101.33 134.23 44.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -142.34 130.83 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.2 p90 -130.1 158.18 40.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.579 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -138.38 179.34 6.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -57.18 -47.27 81.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -154.03 -178.21 6.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -49.13 -33.53 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -30.5 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 60.73 45.93 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -90.96 94.8 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.19 129.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.553 HG12 ' CE2' ' A' ' 53' ' ' TYR . 81.4 mt -79.6 129.16 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -80.57 -31.08 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.518 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -173.92 139.16 4.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 p -103.46 155.96 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.403 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 65.4 mt -135.63 134.86 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.49 111.2 22.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.3 mt -71.05 -42.09 11.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.5 Cg_exo -47.96 -24.49 5.3 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.378 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.9 m -95.0 -20.96 18.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 6.9 m-85 -84.56 149.3 25.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -110.98 108.95 18.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.441 ' CB ' HD22 ' A' ' 115' ' ' LEU . 4.9 mm -79.98 110.83 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.39 136.43 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -46.69 139.03 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.926 0.394 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.83 162.83 24.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -138.09 -178.99 5.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -141.0 149.28 41.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.427 ' HB3' ' CD1' ' A' ' 70' ' ' PHE . . . -120.15 118.42 30.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.69 138.5 31.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 25.2 t-80 -123.95 140.34 34.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.5 Cg_endo -74.18 -45.53 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -95.57 12.24 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.498 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 2.9 mpp? -149.05 -175.25 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -86.83 -175.44 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.5 m -94.1 119.93 33.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.95 156.14 18.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -129.26 135.98 49.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -137.27 151.97 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.1 p -145.88 161.13 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 p -129.7 -176.63 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -88.37 -45.27 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.8 p -137.5 -177.9 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.57 -51.37 59.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -47.71 -55.0 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.699 0.285 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -55.5 -22.58 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.3 ttt -89.07 -37.51 15.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -70.21 -37.97 75.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.11 -36.29 79.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -80.21 -39.74 28.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 112' ' ' LYS . 1.9 mtt -67.09 -65.16 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 111' ' ' MET . 39.0 mmtt -37.56 -44.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.26 -62.44 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 18.2 mtt -40.22 -54.3 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.441 HD22 ' CB ' ' A' ' 72' ' ' ILE . 4.1 mm? -51.4 -58.96 4.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -46.41 -21.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.69 -26.63 14.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . -80.74 -50.16 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.463 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.814 0.256 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.23 125.85 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.94 -53.32 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 23' ' ' ARG . 15.1 ttm105 -169.8 139.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.1 ptt-85 -123.39 129.25 51.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.62 158.3 28.39 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -72.93 93.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 110' ' ' TRP . 31.9 tp -86.84 162.0 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 16.6 m-85 -124.15 136.05 53.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 10.6 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -145.38 138.93 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 52.4 tttt -79.23 134.27 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -152.69 137.54 17.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 33.4 t-105 -72.99 106.61 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -99.61 168.57 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.3 t -157.59 119.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.31 98.53 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.5 t -143.41 154.94 44.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.95 29.32 7.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 55.89 36.55 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.3 m -140.55 -178.03 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -117.09 130.93 56.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -137.79 139.58 40.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.7 p90 -136.59 160.85 37.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -146.27 151.63 37.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' TYR . 21.4 mtt-85 -34.46 -49.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.56 176.15 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -50.36 -19.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -50.9 -24.15 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 61.5 48.95 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -81.8 -177.17 6.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' ILE . . . -39.31 102.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.506 HG12 ' CE2' ' A' ' 53' ' ' TYR . 79.7 mt -37.37 135.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.23 -26.15 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.478 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 173.64 145.08 4.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.0 p -107.4 149.37 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.5 mt -122.55 125.37 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.21 112.49 19.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.5 mt -71.88 -43.32 10.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.927 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.4 Cg_exo -47.93 -23.78 4.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.2 m -94.35 -27.56 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 9.9 m-85 -79.97 156.83 27.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -120.16 105.02 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.451 ' CG2' HD22 ' A' ' 115' ' ' LEU . 6.1 mm -80.14 119.44 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.52 149.91 33.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.49 140.23 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 13.4 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.421 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 2.0 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.454 ' HB1' ' CB ' ' A' ' 100' ' ' CYS . . . -129.11 171.34 12.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.515 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -140.06 -175.88 4.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 31.5 pttt -144.46 142.24 30.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -114.99 124.88 52.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.91 143.43 28.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 13.7 t-80 -131.18 140.71 39.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.63 0.728 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.6 Cg_endo -73.77 -49.4 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -91.95 7.37 42.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.512 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.0 mtp -144.69 -175.8 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -90.35 -178.88 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.6 m -91.37 123.33 34.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.35 168.47 12.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -139.52 136.76 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -141.63 155.7 45.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.454 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . 15.3 p -148.0 162.68 38.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.2 p -129.97 -178.03 4.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -80.18 -45.79 17.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.5 p -139.16 -176.76 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.89 -38.11 94.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -58.74 -61.46 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -50.09 -19.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.2 ttt -88.37 -45.54 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.63 -39.74 89.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.56 -45.53 90.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.518 ' CD1' HD12 ' A' ' 27' ' ' LEU . 9.8 m95 -68.88 -48.25 63.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 112' ' ' LYS . 17.7 mtp -61.7 -62.82 1.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 111' ' ' MET . 39.8 mmtt -34.44 -44.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.85 -60.19 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 16.9 mtt -41.89 -56.38 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.451 HD22 ' CG2' ' A' ' 72' ' ' ILE . 4.2 mm? -54.72 -41.49 70.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.99 -23.45 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -101.6 -1.89 31.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.93 -40.24 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.541 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.793 0.247 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -83.33 132.51 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -71.37 -47.94 56.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -172.94 142.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -133.06 119.11 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.92 143.88 10.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -54.91 99.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD11 ' NE1' ' A' ' 110' ' ' TRP . 54.1 tp -96.11 160.35 14.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -111.58 140.69 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HG3' ' CE1' ' A' ' 99' ' ' PHE . 8.5 ttmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 55.0 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.81 0.338 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -109.56 146.69 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -93.99 121.04 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -140.0 157.01 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -80.41 104.86 11.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -104.75 141.98 35.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.9 t -132.78 124.38 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.25 102.93 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -148.58 152.63 37.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 53.85 45.98 26.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.444 ' CA ' ' HB1' ' A' ' 117' ' ' ALA . 80.1 mt 42.01 42.45 2.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 t -152.01 164.4 37.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -104.56 131.91 51.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -137.18 133.53 35.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.548 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 5.1 p90 -134.51 162.08 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -139.19 -175.01 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -64.53 -45.13 88.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.63 -175.05 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -54.28 -31.36 53.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 58' ' ' GLU . 26.8 mttt -54.38 -19.65 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.495 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER 30.67 47.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -94.43 36.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.81 110.34 0.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 53' ' ' TYR . 54.2 mt -70.8 131.53 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.68 -30.63 19.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.548 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -174.36 131.07 1.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.4 p -97.38 154.66 17.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.821 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.4 mt -129.67 130.55 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.68 113.72 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.643 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 27.4 mt -74.59 -41.64 4.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.649 0.737 . . . . 0.0 110.975 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.9 Cg_exo -47.97 -24.09 4.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.418 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 8.0 m -94.84 -22.46 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 8.9 m-85 -82.94 156.78 23.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -118.39 108.28 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.448 ' CG2' HD22 ' A' ' 115' ' ' LEU . 4.8 mm -80.12 110.03 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.85 136.18 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.47 140.78 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.87 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.906 0.384 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 100' ' ' CYS . . . -133.95 175.03 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.079 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -140.32 -175.95 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -150.59 139.9 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.87 125.07 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.44 134.21 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 38.2 t-80 -128.64 139.73 36.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.2 Cg_endo -72.26 -48.47 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -95.62 23.8 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.51 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 32.6 mtm -157.21 -175.59 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -91.5 -178.34 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.2 m -91.96 117.89 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -87.76 156.77 19.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -132.93 144.88 50.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.582 ' CE1' ' HG3' ' A' ' 29' ' ' LYS . 13.7 m-85 -145.65 131.65 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 86' ' ' ALA . 14.0 p -132.91 162.47 31.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.429 ' HB ' ' CB ' ' A' ' 106' ' ' GLU . 35.6 p -132.51 175.54 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -75.56 -43.46 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 73.1 p -132.45 168.21 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.11 -37.12 62.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -58.29 -60.66 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.429 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 7.9 mt-10 -48.46 -22.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 9.5 ttt -85.74 -48.28 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -58.53 -32.84 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.41 -39.7 77.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.454 ' NE1' HD11 ' A' ' 27' ' ' LEU . 17.5 m95 -74.74 -44.52 49.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' LYS . 4.2 mtp -60.98 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' MET . 32.7 mmtp -37.65 -43.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.59 -66.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.427 ' HE3' ' CE3' ' A' ' 110' ' ' TRP . 31.8 mtt -39.79 -56.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 72' ' ' ILE . 4.0 mm? -49.3 -45.94 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -49.47 -42.1 42.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.444 ' HB1' ' CA ' ' A' ' 48' ' ' LEU . . . -79.73 -50.53 10.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.72 -52.73 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.796 0.248 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.9 t -77.94 119.69 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.9 t -65.65 -59.26 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -164.49 148.4 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -135.36 134.12 39.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.5 156.12 27.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.567 ' CE3' ' HE2' ' A' ' 40' ' ' LYS . 88.7 m95 -68.78 90.48 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.832 0.349 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.413 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 17.9 tp -90.62 159.99 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.586 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.0 m-85 -111.0 125.75 54.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.889 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.472 ' CE3' ' SG ' ' A' ' 100' ' ' CYS . 39.0 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.872 0.368 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -95.82 143.36 27.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.586 ' HG2' ' CE1' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -95.09 132.12 40.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 17.1 tpp180 -161.09 155.75 23.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.546 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 36.8 t-105 -76.19 128.11 34.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 16.2 m-85 -121.97 145.93 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.1 t -136.24 134.14 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.91 99.25 9.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -141.71 155.57 45.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.3 OUTLIER 51.45 29.62 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 2.4 mm? 55.99 33.5 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 92.2 m -135.94 -179.27 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -114.06 128.27 56.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.506 ' CE1' ' CB ' ' A' ' 64' ' ' SER . 95.3 m-85 -136.98 139.6 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.476 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 2.5 p90 -134.98 159.13 42.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE2' HD11 ' A' ' 61' ' ' ILE . 13.9 m-85 -137.53 169.47 17.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' N ' HD12 ' A' ' 62' ' ' LEU . 28.8 mmt180 -57.22 -36.69 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.52 178.11 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.4 -14.82 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -60.45 -22.0 62.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.444 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 30.9 mt-10 50.31 51.39 16.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -111.79 121.42 45.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.04 114.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.568 HD11 ' CE2' ' A' ' 53' ' ' TYR . 2.7 mm -67.43 152.33 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 54' ' ' ARG . 5.2 mt -115.5 -17.24 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.476 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 161.39 135.17 1.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.506 ' CB ' ' CE1' ' A' ' 51' ' ' PHE . 95.7 p -111.0 146.98 35.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 0.0 110.823 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.7 mt -119.48 123.44 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.13 110.07 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.8 mt -72.82 -41.77 7.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 66.1 Cg_exo -48.03 -23.79 4.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.412 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 66.3 m -94.52 -21.58 18.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.556 ' CD1' ' HB1' ' A' ' 89' ' ' ALA . 10.0 m-85 -85.0 159.61 20.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -123.52 106.74 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.0 mm -80.15 118.72 28.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.02 137.42 26.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -46.47 141.24 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 14.3 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.949 0.404 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.43 153.99 44.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -133.13 -177.04 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 5.6 pttp -140.44 143.91 35.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.556 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -117.81 120.21 37.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.21 139.9 30.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 24.8 t-80 -131.91 139.42 35.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.699 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.488 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.08 -50.13 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -89.55 8.64 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.5 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.0 mtp -147.16 -176.7 5.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -89.16 177.87 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -88.11 119.89 28.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.85 169.23 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -145.1 129.71 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -129.5 143.63 50.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.472 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 16.0 p -138.84 156.0 47.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.41 ' HB ' ' CB ' ' A' ' 106' ' ' GLU . 9.8 p -124.56 178.37 5.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.94 -45.26 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.8 t -140.06 -175.07 4.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.39 -49.45 77.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -51.29 -56.16 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.735 0.302 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.41 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 9.2 mm-40 -51.57 -21.94 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.7 ttt -89.93 -45.19 9.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.29 -34.87 71.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.27 -33.26 74.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -80.15 -53.85 6.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 112' ' ' LYS . 12.3 mtp -52.49 -64.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 111' ' ' MET . 42.1 mmtt -34.41 -40.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.29 -63.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 30.5 mtt -43.22 -57.89 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -46.78 -34.39 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.72 -33.15 58.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.9 -9.55 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -99.14 -43.48 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -128.94 170.22 13.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -148.56 122.1 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.44 -97.83 0.28 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t 58.7 43.04 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 110.81 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -122.33 98.65 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.06 -175.17 13.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.06 93.56 4.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -53.85 -50.51 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 m -84.98 119.81 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -69.96 83.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -100.2 165.6 11.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mt -117.0 141.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -128.22 130.04 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -68.33 149.73 49.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -108.73 93.93 13.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -43.87 -45.68 11.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -55.46 -48.45 74.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.58 102.17 0.26 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 111.077 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.16 106.37 0.08 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.36 127.43 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.182 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.3 -56.49 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -165.02 142.94 6.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' CB ' HG23 ' A' ' 44' ' ' VAL . 6.0 ptt-85 -135.74 127.78 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.532 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -158.15 173.86 35.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.479 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -80.01 102.73 9.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 tp -102.39 155.58 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -104.71 122.28 45.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -111.68 149.62 31.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.425 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 26.1 tt0 -123.48 141.01 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.48 170.97 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 t -125.7 42.76 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.1 p -125.15 89.71 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.67 -83.19 1.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.7 mmm -109.13 131.03 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 1.7 mptm? -88.31 82.02 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -107.65 168.86 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -106.35 134.04 50.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 130.54 56.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -82.63 122.73 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -148.17 167.02 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.532 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 52.4 t-105 -94.19 112.09 23.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -104.75 161.86 13.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.409 HG23 ' CB ' ' A' ' 24' ' ' ARG . 70.7 t -151.22 135.09 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.38 99.37 8.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t -149.83 145.26 26.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t70 63.36 39.42 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.3 mt 47.23 29.97 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.1 m -138.7 176.64 8.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -114.1 134.64 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -142.55 135.6 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -137.97 161.73 35.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -141.28 169.6 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -46.62 -49.85 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -148.48 -175.09 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -52.93 -36.63 59.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -44.59 -29.92 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.42 ' HG2' ' CE1' ' A' ' 53' ' ' TYR . 21.3 mt-10 61.66 31.48 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -76.15 92.88 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.99 135.04 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.454 HG12 ' CE2' ' A' ' 53' ' ' TYR . 85.7 mt -85.89 131.19 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.44 -27.57 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.64 138.52 2.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 p -101.36 153.26 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.9 mt -130.26 122.96 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.18 111.14 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 12.7 mt -69.42 -43.31 22.93 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.9 Cg_exo -47.92 -24.78 5.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.413 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 25.8 m -92.43 -22.39 19.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 8.5 m-85 -85.18 153.4 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -115.74 108.11 15.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.9 mm -80.47 118.47 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.46 143.06 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 74' ' ' LEU . 2.4 mm? -61.09 137.2 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.4 mt -49.34 160.22 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.4 t -126.69 173.06 9.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.4 m -41.83 -50.64 4.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -52.45 -44.43 65.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -92.87 48.65 1.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.515 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -74.62 67.45 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.5 mt -75.53 133.05 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -47.27 -43.36 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.6 92.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -70.24 -178.94 1.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 57.62 44.01 21.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.19 159.48 41.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -127.63 177.01 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -137.1 152.37 49.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.481 ' HB3' ' CD1' ' A' ' 70' ' ' PHE . . . -122.04 121.98 38.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.26 141.94 27.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 26.7 t-80 -134.87 140.36 34.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.51 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.56 -48.73 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -91.31 10.76 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.505 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.6 mtm -148.03 -175.66 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.51 -176.91 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.3 m -92.49 121.1 33.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.65 172.12 9.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -146.6 129.41 16.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -129.54 133.2 47.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.7 p -135.74 156.85 48.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.419 HG21 ' C ' ' A' ' 106' ' ' GLU . 45.3 p -124.25 -175.75 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.75 -41.09 18.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.7 p -128.35 -175.91 3.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.85 -39.3 65.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.473 ' CD ' ' CD1' ' A' ' 109' ' ' LEU . 4.7 tmmm? -61.05 -63.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.419 ' C ' HG21 ' A' ' 101' ' ' THR . 5.3 mm-40 -39.28 -27.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' LYS . 1.5 ttt -82.03 -42.27 19.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 105' ' ' LYS . 7.0 pt-20 -62.34 -36.23 81.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.473 ' CD1' ' CD ' ' A' ' 105' ' ' LYS . 28.5 mt -64.85 -33.98 77.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -80.8 -43.23 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.9 mmm -63.44 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 111' ' ' MET . 28.8 mmtp -34.85 -41.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -80.21 -66.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 113' ' ' ALA . 23.7 mtt -36.85 -56.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -49.87 -44.63 49.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -52.77 -26.01 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -95.52 -38.66 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.2 -53.04 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.429 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 1.0 OUTLIER -39.04 -33.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 119' ' ' LEU . 93.7 t -37.35 142.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 119' ' ' LEU . 69.2 mm-40 -107.94 61.87 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 122' ' ' THR . 5.5 t -131.23 121.53 24.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.7 t -163.82 125.96 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.97 145.82 8.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.49 -178.5 4.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.6 p -157.65 156.09 31.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.3 t -74.62 98.81 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -153.31 148.96 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -93.98 171.72 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.5 156.6 10.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -109.59 111.29 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -172.26 151.22 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.1 52.02 1.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -153.35 120.97 5.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 9' ' ' ARG . 2.1 ppt_? -66.47 -24.36 66.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -107.69 96.15 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -87.05 -50.58 6.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.7 p -170.69 177.25 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.2 mt -109.2 135.63 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -134.07 136.7 44.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.566 ' HG3' ' CD2' ' A' ' 51' ' ' PHE . 14.5 ttp180 -73.74 106.16 5.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.408 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 5.0 t30 -60.57 143.06 90.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.673 0.749 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 16' ' ' ASN . 63.5 Cg_endo -78.7 -48.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -55.91 -32.72 64.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.46 140.84 79.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.538 0.685 . . . . 0.0 111.075 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -79.5 127.21 7.18 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.15 126.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.2 t -69.94 -60.08 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -160.95 137.73 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -126.62 124.37 39.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.517 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -160.3 165.3 34.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.486 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 87.4 m95 -77.34 95.1 4.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD12 ' CD1' ' A' ' 110' ' ' TRP . 28.1 tp -95.45 144.19 26.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -90.66 132.97 35.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -125.02 145.55 49.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 28.9 tt0 -81.43 124.06 29.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -60.42 173.94 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.0 p -127.74 41.44 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.9 p -148.91 136.86 20.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.02 -109.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -72.8 141.71 48.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 11.9 mptt -107.33 85.36 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mt -108.43 -178.79 3.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -98.25 116.93 31.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -100.69 149.23 24.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HE3' ' CG ' ' A' ' 26' ' ' TRP . 22.7 tptt -91.15 118.56 30.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -142.82 155.67 44.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 38.3 t-105 -85.54 113.8 22.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.5 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 34.0 m-85 -111.71 143.65 42.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.72 135.13 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.51 99.29 8.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 t -142.91 144.37 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t70 58.1 42.75 21.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.3 mt 45.85 44.38 10.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.408 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 10.4 t -151.52 162.01 41.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -102.31 134.19 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 15' ' ' ARG . 76.0 m-85 -143.67 125.22 14.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.417 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 18.5 p90 -124.41 164.79 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.565 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -140.44 178.55 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.968 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -57.38 -46.63 83.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.64 -179.94 7.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.12 -17.54 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -56.57 -25.28 51.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 60.13 40.4 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -94.83 98.7 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.14 134.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 53' ' ' TYR . 99.3 mt -87.28 122.59 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.137 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.77 -35.1 76.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -168.09 141.52 6.87 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.7 p -104.9 150.26 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.1 mt -129.71 122.1 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.46 112.1 18.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.9 mt -68.74 -44.01 30.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.1 Cg_exo -48.0 -23.83 4.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t -92.69 -25.74 18.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.513 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 10.1 m-85 -82.9 162.17 21.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -126.39 109.52 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.458 ' CB ' HD23 ' A' ' 115' ' ' LEU . 2.9 mm -80.19 117.76 26.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.83 138.79 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' N ' HD21 ' A' ' 74' ' ' LEU . 1.1 mm? -58.19 137.27 57.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.5 mt -49.57 156.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 77' ' ' SER . 9.1 t -123.05 154.31 38.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 76' ' ' THR . 25.9 t -34.96 -48.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' ASP . 9.4 tt0 -41.49 -55.42 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.2 OUTLIER -35.09 132.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.444 ' CD2' ' H ' ' A' ' 80' ' ' HIS . 1.4 p80 -95.82 34.72 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.434 HD11 ' CE2' ' A' ' 98' ' ' TYR . 13.3 mt -112.63 137.49 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -109.5 42.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' N ' ' HD2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -101.72 179.63 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -127.75 157.41 40.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.527 ' CD1' ' HA2' ' A' ' 104' ' ' GLY . 22.6 m-85 46.68 42.41 11.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.15 145.27 46.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 1.2 p90 -128.98 -179.56 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -144.58 147.16 32.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.35 128.72 55.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.54 141.79 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 30.1 t-80 -135.82 140.22 32.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.57 0.7 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.36 -48.84 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -90.12 10.24 25.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.463 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 42.7 mtm -148.51 -176.17 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -92.71 -177.17 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.9 m -89.26 126.81 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.53 162.48 13.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.434 ' CE2' HD11 ' A' ' 81' ' ' ILE . 61.0 m-85 -134.36 126.36 29.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.978 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.505 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 35.7 m-85 -129.49 136.94 50.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.4 p -136.82 162.63 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.7 p -129.18 176.28 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -79.85 -38.25 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.4 p -135.36 162.6 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.527 ' HA2' ' CD1' ' A' ' 85' ' ' TYR . . . -54.12 -29.62 44.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.514 ' CD ' ' N ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -66.46 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.723 0.297 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 105' ' ' LYS . 7.0 mt-10 -43.16 -23.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 105' ' ' LYS . 2.4 ttt -85.87 -45.7 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -56.19 -36.44 68.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.44 HD13 ' CE ' ' A' ' 105' ' ' LYS . 65.0 mt -69.45 -48.81 59.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.539 ' CD1' HD12 ' A' ' 27' ' ' LEU . 13.5 m95 -61.17 -50.61 72.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.2 mmm -57.91 -63.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 111' ' ' MET . 22.4 mmmt -35.92 -42.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.78 -62.8 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.45 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 32.4 mtt -41.63 -54.84 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.458 HD23 ' CB ' ' A' ' 72' ' ' ILE . 3.5 mm? -53.04 -38.33 62.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 119' ' ' LEU . 4.4 t70 -60.73 -29.52 69.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.46 ' HB1' ' CB ' ' A' ' 67' ' ' LEU . . . -89.34 -46.74 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.59 86.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -48.6 -27.99 3.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 121' ' ' GLN . 95.0 t -49.32 136.3 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.427 ' N ' HG13 ' A' ' 120' ' ' VAL . 39.9 mt-30 -109.65 79.93 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.7 t -122.88 149.81 43.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.9 m -76.45 139.87 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.807 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.51 -73.43 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.78 23.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.0 t 66.13 37.93 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 92.6 p -76.55 156.57 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 p -110.89 155.88 21.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -93.45 168.74 10.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.798 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -80.93 140.71 21.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 8.1 t -37.1 140.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.856 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -133.43 123.44 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.22 137.15 8.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -88.08 -60.2 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 mtm-85 -74.39 86.69 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -99.5 125.63 45.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -54.41 -50.75 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.3 p -79.82 164.31 23.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.3 mt -112.47 138.09 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 15' ' ' ARG . 10.2 tmtt? -119.52 138.8 52.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 17.3 ttp180 -62.91 146.42 52.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -111.39 93.49 19.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.61 -49.18 9.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -51.29 -49.72 60.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.85 103.4 0.32 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 111.111 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.27 115.7 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -71.7 131.09 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.7 -56.09 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 ttm-85 -166.42 132.62 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -122.97 124.61 43.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.85 163.12 33.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -69.22 100.79 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.6 tp -103.17 150.7 23.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.498 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 60.6 m-85 -97.97 148.95 22.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -149.75 162.2 40.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.46 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 14.2 tt0 -87.94 167.59 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -109.02 132.64 53.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 p -54.18 -62.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -96.33 171.94 8.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' MET . . . 57.88 173.16 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -34.2 134.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.46 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 0.9 OUTLIER -88.97 76.38 7.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 mt -109.64 165.06 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -85.28 107.08 17.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -95.91 134.22 39.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.498 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 13.9 tttp -77.32 137.05 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.405 ' NH2' ' O ' ' A' ' 54' ' ' ARG . 3.7 tpm_? -158.86 151.95 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -77.11 118.16 19.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -114.17 157.0 23.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.1 t -148.24 130.97 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.46 103.23 12.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 t -148.9 147.79 29.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t0 57.9 32.8 22.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.2 mt 54.98 33.94 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 t -142.22 152.39 43.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.75 129.74 41.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -131.46 125.01 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 14.3 p90 -125.66 151.7 46.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -133.47 -174.96 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' ' NH2' ' A' ' 41' ' ' ARG . 46.0 mtt180 -65.42 -44.64 86.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -149.26 -177.86 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.36 -12.29 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 58' ' ' GLU . 56.2 mttt -71.42 -15.84 62.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 57' ' ' LYS . 1.1 pp20? 34.56 50.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -89.79 25.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.66 116.08 0.94 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.87 138.97 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -95.01 -24.26 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -178.43 132.05 1.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.2 p -96.02 147.67 23.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.0 mt -123.92 124.52 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -83.53 108.98 17.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.8 mt -66.78 -44.13 51.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.58 0.705 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -48.02 -25.43 6.43 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.42 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 13.8 m -92.08 -24.82 19.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 10.3 m-85 -81.11 163.98 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -127.96 108.37 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.456 ' CG2' ' SD ' ' A' ' 111' ' ' MET . 3.3 mm -80.6 108.49 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.39 136.29 29.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mt -49.53 151.19 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.91 174.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -154.19 169.69 23.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.3 t -42.76 -52.18 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -38.17 -49.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -68.42 108.64 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -81.04 46.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.54 ' CD1' ' CD2' ' A' ' 98' ' ' TYR . 74.6 mt -98.54 -55.42 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 70.55 25.81 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' HB2' ' CG2' ' A' ' 81' ' ' ILE . 9.0 tpt180 -88.75 133.59 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -76.65 161.81 28.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 84' ' ' LYS . 5.2 m-85 34.41 53.09 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.77 150.24 52.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 1.8 p90 -132.94 169.75 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 pttm -132.31 138.67 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.37 120.96 43.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.94 131.8 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.512 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 25.4 t-80 -123.14 140.37 33.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.8 Cg_endo -74.48 -50.39 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -89.45 10.01 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.507 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.8 mtp -147.06 -177.46 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -86.8 -177.56 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -91.08 120.34 31.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -87.97 171.4 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.54 ' CD2' ' CD1' ' A' ' 81' ' ' ILE . 75.8 m-85 -144.86 140.48 28.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.468 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 49.9 m-85 -138.36 159.83 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 15.0 p -162.5 161.43 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.7 p -134.04 -178.34 4.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -76.95 -43.24 35.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -134.06 175.7 9.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.52 99.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.66 -64.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -47.52 -20.34 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.413 ' SD ' ' N ' ' A' ' 108' ' ' GLU . 1.1 tmt? -87.35 -48.34 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.413 ' N ' ' SD ' ' A' ' 107' ' ' MET . 5.3 pt-20 -55.76 -39.35 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.9 mt -60.18 -47.77 84.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -67.27 -46.79 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.456 ' SD ' ' CG2' ' A' ' 72' ' ' ILE . 3.5 mmt -59.79 -62.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 111' ' ' MET . 5.8 mmmm -35.97 -43.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -77.82 -64.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.449 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 29.3 mtt -37.22 -53.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.57 -51.07 64.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.419 ' HA ' ' CD2' ' A' ' 119' ' ' LEU . 3.1 t70 -49.14 -31.56 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.438 ' O ' ' CG2' ' A' ' 120' ' ' VAL . . . -86.05 -45.81 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 120' ' ' VAL . . . -59.24 -54.28 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 0.8 OUTLIER -39.78 -26.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 118' ' ' ALA . 69.0 t -48.64 138.32 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -108.58 98.12 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.1 t -157.14 164.6 37.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.2 m 40.31 38.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.24 146.1 17.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.05 -53.4 5.84 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.691 2.26 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.3 t 66.1 36.94 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.9 p -51.67 97.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -130.33 119.18 22.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -45.33 -55.6 5.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.22 145.41 5.05 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -139.09 139.12 37.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -133.78 160.03 38.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.05 -150.68 7.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -118.14 167.43 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -84.75 116.74 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.5 p -104.69 163.3 12.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -99.01 -62.36 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 m -59.47 177.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.5 mt -118.17 146.71 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.01 129.78 53.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 51.1 ttt-85 -93.4 108.59 20.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -58.49 110.19 2.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.708 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.61 -55.72 3.72 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 19' ' ' ALA . 7.6 m120 -47.01 -41.09 15.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ASN . . . -33.92 142.11 0.22 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.55 0.691 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.09 120.1 4.48 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.626 2.217 . . . . 0.0 112.372 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.6 t -78.39 118.79 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.6 t -70.12 -51.22 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.6 ttt-85 -161.89 130.25 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.462 ' CB ' HG21 ' A' ' 44' ' ' VAL . 21.0 ptt180 -129.53 117.42 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.472 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -158.38 154.45 25.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -62.95 97.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.523 HD13 ' CD1' ' A' ' 110' ' ' TRP . 42.2 tp -94.27 162.07 14.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.463 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 33.7 m-85 -110.4 121.59 45.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -108.52 151.5 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.447 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 34.3 tt0 -108.18 160.55 15.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' SER . 2.4 m-20 -133.05 89.24 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ASP . 24.1 m -34.91 -49.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' SER . 46.3 p -37.0 118.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.91 -117.79 7.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 61.7 mtm -92.61 130.53 38.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 7.8 mptt -72.95 82.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -111.31 169.74 8.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -104.25 164.2 11.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -147.39 140.5 25.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -83.8 130.02 34.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 16.0 tpp180 -155.39 153.41 30.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.472 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 40.6 t-105 -84.49 108.44 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 25.4 m-85 -101.97 164.22 11.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.462 HG21 ' CB ' ' A' ' 24' ' ' ARG . 52.4 t -156.51 128.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.64 98.5 9.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 p -137.29 156.28 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.0 t70 40.75 49.0 2.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mt 40.66 48.76 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 4.9 t -151.86 169.63 21.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.29 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 49' ' ' CYS . 81.1 m-85 -137.76 129.78 28.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.535 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 5.5 p90 -126.58 162.04 26.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -147.71 152.16 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.1 mtt180 -38.96 -46.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -143.21 -178.43 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -65.2 -13.99 59.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -63.0 -30.31 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 57.44 44.43 21.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.04 -45.41 92.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.42 118.09 0.81 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 53' ' ' TYR . 68.7 mt -53.56 125.54 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mt -81.83 -23.68 36.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.535 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 176.39 143.11 4.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 p -105.9 151.14 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.9 mt -127.03 122.99 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.49 110.13 16.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 16.2 mt -69.85 -42.64 18.74 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.4 Cg_exo -47.97 -25.74 6.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.41 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 59.9 m -92.12 -23.52 19.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 9.9 m-85 -82.96 156.19 23.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -119.79 106.06 11.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.26 116.7 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.96 141.64 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.03 133.68 55.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.7 mt -45.77 165.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 77' ' ' SER . 9.4 t -125.24 160.34 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 76' ' ' THR . 55.0 p -35.26 -46.94 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.6 -51.69 15.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.58 85.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 77' ' ' SER . 30.7 m170 -84.12 79.33 9.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.8 mt -104.35 150.89 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -80.62 -44.48 18.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.92 141.42 21.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -102.44 161.78 13.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.533 ' CD1' ' HA2' ' A' ' 104' ' ' GLY . 94.8 m-85 57.38 39.92 27.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.01 147.62 34.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.4 p90 -128.86 -177.06 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -143.91 147.21 33.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB2' ' CD1' ' A' ' 70' ' ' PHE . . . -119.29 119.74 34.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.47 145.79 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 34.3 t-80 -139.83 140.05 23.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.579 0.704 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.2 Cg_endo -73.78 -48.87 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -89.81 10.14 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.472 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 45.0 mtm -147.52 -175.12 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -93.69 178.65 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.3 m -87.13 121.24 29.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -91.55 156.55 17.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -133.96 120.38 20.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -122.61 151.27 41.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 13.9 p -150.75 160.56 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.6 p -125.49 -177.53 3.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.97 -44.56 20.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.0 p -131.33 162.38 30.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.533 ' HA2' ' CD1' ' A' ' 85' ' ' TYR . . . -50.94 -35.66 32.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.473 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -59.65 -64.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -46.26 -21.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -83.5 -45.98 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.24 -34.17 74.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.24 -40.05 82.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.523 ' CD1' HD13 ' A' ' 27' ' ' LEU . 11.7 m95 -76.53 -37.94 55.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 5.2 mtp -65.53 -61.88 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -38.91 -39.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.06 -63.5 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 26.0 mtt -42.31 -54.23 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.9 -39.55 68.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.01 -26.38 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.1 -2.74 28.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -102.78 -36.62 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.547 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -66.03 -10.51 40.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.469 ' N ' HD12 ' A' ' 119' ' ' LEU . 4.0 p -82.61 129.58 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -114.26 76.46 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 122' ' ' THR . 7.0 t -122.55 122.26 38.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 94.3 p -67.4 140.12 57.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 68.38 166.84 4.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.11 -177.55 3.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -64.48 -58.81 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.1 p -67.8 154.37 41.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t 39.29 41.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -103.17 172.41 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.86 113.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -144.63 136.46 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -148.53 147.78 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.77 -151.13 7.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.536 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -149.19 176.19 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -56.24 -56.65 18.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -61.18 146.43 47.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -49.8 -54.96 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 m -56.54 170.92 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.01 147.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -107.61 133.25 52.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 16' ' ' ASN . 45.9 ttt-85 -85.45 162.6 18.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 8.7 t30 -122.75 97.32 44.33 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.69 -56.78 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' ALA . 2.2 m-80 -41.8 -51.81 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' ASN . . . -37.81 102.36 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 111.081 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -44.68 127.84 8.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.36 130.47 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -74.84 -52.0 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 ttp85 -172.27 131.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -122.17 126.4 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.65 157.59 27.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.485 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 83.5 m95 -67.56 86.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.1 tp -86.71 156.35 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.545 ' CE1' ' HD3' ' A' ' 40' ' ' LYS . 72.4 m-85 -92.75 140.72 29.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HE3' ' CE2' ' A' ' 97' ' ' TYR . 7.3 tptm -119.97 130.63 54.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -84.26 143.89 29.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -114.94 139.08 50.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.0 m -75.62 -38.64 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 56.5 p -48.68 141.08 7.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.5 -138.12 6.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.2 mtp -71.04 171.6 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -87.66 70.34 9.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 mt -86.74 159.27 19.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CE3' ' SG ' ' A' ' 100' ' ' CYS . 80.0 m95 -104.68 143.18 33.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -122.4 137.79 54.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.545 ' HD3' ' CE1' ' A' ' 28' ' ' TYR . 8.3 tptm -88.77 117.41 27.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -137.31 169.53 17.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.485 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 43.3 t-105 -95.23 116.57 28.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -111.67 148.14 34.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.0 t -138.6 115.76 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.47 100.42 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -148.81 154.21 39.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t70 53.06 45.07 29.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt 41.45 42.24 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.2 m -151.32 173.12 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.5 mt -112.67 137.39 51.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -147.66 122.36 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.4 p90 -121.65 153.87 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.519 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -132.74 174.65 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -55.14 -46.28 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -156.14 -178.08 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -50.68 -23.57 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -55.66 -28.16 53.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 54.85 49.65 17.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -98.61 96.08 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.64 121.74 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.519 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 78.1 mt -71.63 131.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.16 -26.72 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.494 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 178.19 130.15 1.37 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.539 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.8 p -95.81 151.93 18.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.2 mt -131.24 127.98 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.55 112.37 22.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 16.4 mt -71.28 -42.62 11.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.625 0.726 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.8 Cg_exo -47.95 -23.69 4.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.5 m -93.23 -27.31 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 10.4 m-85 -77.37 168.41 20.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -130.56 108.64 10.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.5 mm -80.05 114.16 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.47 135.81 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mt -49.99 150.01 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 69.6 mt -63.62 169.58 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 77' ' ' SER . 14.4 t -152.71 165.01 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 76' ' ' THR . 1.9 m -37.19 -41.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -45.82 -55.19 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -61.1 119.97 9.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -83.19 42.8 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.543 HD12 ' CE2' ' A' ' 98' ' ' TYR . 44.3 mt -110.95 122.37 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -94.91 40.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.3 mmt-85 -100.46 174.42 6.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -130.95 155.72 46.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 104' ' ' GLY . 70.5 m-85 55.2 37.36 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.9 158.31 33.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.588 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -133.8 -177.67 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 36.1 pttt -144.46 138.64 27.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.549 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -112.14 122.75 48.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.29 145.95 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 22.7 t-80 -135.19 140.52 34.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.44 -49.47 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -91.23 11.73 22.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.553 ' HE2' ' CZ ' ' A' ' 70' ' ' PHE . 23.9 mtp -148.17 -175.45 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -89.95 -178.69 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.3 m -90.14 118.6 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.402 ' CE2' ' HE3' ' A' ' 29' ' ' LYS . 2.8 m-85 -87.81 163.01 16.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.543 ' CE2' HD12 ' A' ' 81' ' ' ILE . 49.9 m-85 -138.35 129.43 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -129.14 136.68 50.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.592 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 20.3 p -134.59 162.15 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.5 p -136.28 -175.51 4.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.179 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.3 -42.68 75.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 1.1 t -155.35 174.32 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.556 ' N ' ' CD1' ' A' ' 85' ' ' TYR . . . -44.31 -48.08 8.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.415 ' CE ' HD12 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -52.42 -64.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.75 -18.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.92 -42.56 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 5.0 pt-20 -59.28 -45.09 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.453 ' N ' ' CG ' ' A' ' 108' ' ' GLU . 41.1 mt -55.0 -37.04 66.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.1 m95 -79.43 -51.55 9.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 112' ' ' LYS . 7.6 mtp -53.88 -65.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 111' ' ' MET . 28.0 mmtt -34.28 -39.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.56 -60.76 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 36.3 mtt -43.78 -51.87 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -55.38 -37.43 67.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -24.89 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.6 -18.79 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.55 -48.85 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.52 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -50.25 -17.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.43 ' N ' HD13 ' A' ' 119' ' ' LEU . 88.8 t -49.51 121.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -100.36 63.41 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.7 t -113.41 127.34 56.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.3 m -142.93 159.14 42.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.21 -146.65 15.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.0 46.3 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.0 t -86.51 95.03 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.1 p -122.15 156.48 33.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -58.65 106.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -153.24 126.16 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.28 152.62 17.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 m -162.68 165.08 26.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.821 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 m -99.82 -57.35 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.95 -80.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.39 142.74 50.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.2 mtt-85 -82.51 103.55 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.3 p -97.98 -44.86 6.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -75.08 164.31 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 m -69.26 176.66 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.465 ' CD1' HD22 ' A' ' 66' ' ' LEU . 56.4 mt -118.73 137.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -89.32 130.68 35.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -94.39 134.16 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -89.77 112.08 49.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.588 0.709 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.92 -63.0 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' ALA . 1.4 m-80 -40.16 -48.69 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' ASN . . . -33.98 102.16 0.21 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.539 0.685 . . . . 0.0 111.067 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.83 122.94 5.54 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 2.271 . . . . 0.0 112.304 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.68 123.3 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.31 -49.17 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -171.09 140.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.439 ' CB ' HG22 ' A' ' 44' ' ' VAL . 17.4 ptt180 -130.46 123.06 28.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.93 160.17 29.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -73.72 89.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.558 HD12 ' CD1' ' A' ' 110' ' ' TRP . 18.1 tp -87.39 153.86 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -100.38 129.3 46.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -122.22 139.7 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -79.55 161.92 25.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.65 141.03 44.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.7 m -78.14 -46.62 20.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.5 p -48.79 133.66 17.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.11 -100.15 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -119.09 162.14 19.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -86.06 49.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.0 mt -82.77 166.63 18.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -96.98 124.21 40.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -104.11 138.45 40.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -83.05 134.36 35.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -157.78 149.91 22.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.6 t-105 -76.87 105.53 8.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 41.5 m-85 -102.97 140.37 37.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 24' ' ' ARG . 77.5 t -131.39 137.13 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.57 99.85 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 p -141.82 155.46 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 48' ' ' LEU . 7.4 t70 44.96 54.86 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CA ' ' HB3' ' A' ' 117' ' ' ALA . 2.4 mm? 35.81 40.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 72.0 m -147.29 178.33 8.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -114.15 133.81 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -137.5 127.0 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 19.3 p90 -129.45 159.11 37.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -140.02 178.62 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -53.89 -49.47 68.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -153.67 -176.25 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.71 -30.35 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -49.11 -19.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 47.51 50.67 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -104.19 105.0 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.08 123.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.537 HG12 ' CE2' ' A' ' 53' ' ' TYR . 91.4 mt -78.34 134.79 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -15.79 38.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 172.31 137.5 2.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.3 p -104.41 145.7 29.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.916 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 39.9 mt -120.71 125.65 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 13' ' ' ILE . 4.2 mm? -85.12 110.83 19.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.9 mt -68.6 -43.82 31.23 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 110.95 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.8 Cg_exo -47.96 -27.01 8.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 t -90.63 -23.9 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.569 ' CD1' ' HB1' ' A' ' 89' ' ' ALA . 10.4 m-85 -83.04 159.08 22.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -122.72 107.1 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mm -80.06 117.2 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.18 135.11 20.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -52.92 143.41 17.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.4 mt -55.42 176.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 77' ' ' SER . 10.1 t -161.74 162.69 29.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 76' ' ' THR . 30.4 t -34.71 -48.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -41.95 -48.9 4.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.5 134.59 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -92.84 29.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 98' ' ' TYR . 11.9 mt -116.08 116.89 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -86.54 34.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -99.7 156.3 17.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -117.47 175.56 5.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 49.46 34.28 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.91 165.12 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.453 ' CG ' ' HE1' ' A' ' 111' ' ' MET . 2.3 p90 -142.33 -178.04 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -143.3 153.79 43.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -126.51 122.83 36.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.89 147.2 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 48.5 t-80 -139.36 139.84 23.97 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.598 0.714 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.6 Cg_endo -73.15 -49.25 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -91.41 15.76 11.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.517 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 32.9 mtm -153.51 -175.03 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -92.98 -176.38 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.2 m -91.2 124.13 35.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.55 164.41 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.554 ' CE2' HD11 ' A' ' 81' ' ' ILE . 60.3 m-85 -138.24 141.41 39.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -143.18 137.42 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.4 p -137.89 159.12 42.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.1 p -130.8 179.96 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.68 -42.82 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.7 p -140.01 173.86 11.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.31 -36.17 74.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.541 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.466 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -59.25 -64.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -47.76 -19.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.43 -45.2 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.86 -38.66 79.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.466 HD11 ' CE ' ' A' ' 105' ' ' LYS . 34.3 mt -61.91 -35.58 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.558 ' CD1' HD12 ' A' ' 27' ' ' LEU . 19.8 m95 -80.33 -52.41 7.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.453 ' HE1' ' CG ' ' A' ' 87' ' ' PHE . 8.4 mtp -55.9 -65.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' MET . 45.7 mmtm -34.62 -39.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.52 -43.57 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.058 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 111' ' ' MET . 26.3 mtt -59.08 -54.42 47.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.56 -33.72 55.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -63.44 -36.13 82.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.461 ' HB3' ' CA ' ' A' ' 48' ' ' LEU . . . -84.33 -50.77 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.03 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.1 pp -41.06 -33.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 117' ' ' ALA . 94.9 t -43.34 133.22 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -103.99 58.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.6 t -106.78 39.98 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.1 t -135.22 171.66 14.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.32 -93.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.24 42.75 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.9 p -41.87 -46.75 4.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.0 t -150.09 140.71 22.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -127.34 177.87 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -155.49 150.6 26.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.01 157.88 8.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -166.82 117.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -62.48 -56.97 13.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.31 118.91 2.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -73.07 114.53 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -81.35 133.22 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.6 m -85.52 -61.24 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -47.62 -59.45 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.6 m -113.07 173.97 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.8 mt -107.82 141.3 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -108.47 129.6 55.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 10.3 ttp-105 -68.14 146.64 53.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -109.14 141.87 24.36 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.648 0.737 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.58 -51.62 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -51.23 -48.47 62.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.36 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.573 0.701 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.52 143.3 8.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.6 t -98.41 124.25 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.3 -54.19 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 24' ' ' ARG . 18.1 tpp180 -166.66 154.94 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 42.4 ptt85 -141.89 114.62 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.78 150.51 22.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.446 ' CG ' ' HE3' ' A' ' 40' ' ' LYS . 91.0 m95 -57.85 96.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 24.2 tp -91.76 153.35 19.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -104.4 113.96 27.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -100.27 153.9 18.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' CG ' ' HB3' ' A' ' 36' ' ' LYS . 1.9 tp60 -90.93 160.97 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -119.47 117.22 27.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -81.61 45.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.0 p -137.49 107.62 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.82 -80.57 1.06 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ttt -126.24 131.6 51.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HB3' ' CG ' ' A' ' 30' ' ' GLN . 44.4 mmtm -70.01 81.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.9 mt -98.46 167.0 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -101.07 127.92 47.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -109.64 148.54 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HE3' ' CG ' ' A' ' 26' ' ' TRP . 28.3 tptt -97.44 120.84 38.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttp-105 -154.88 166.83 32.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -83.53 128.74 34.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 35.2 m-85 -128.83 135.22 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.3 t -128.62 134.4 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.99 99.39 9.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 p -138.13 156.82 47.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.6 t70 43.12 45.24 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mp 43.79 44.14 5.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.8 t -145.77 166.09 26.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.85 126.15 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -128.27 140.33 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 4.5 p90 -136.46 150.04 48.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.56 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -136.83 150.64 48.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -33.18 -36.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 0.9 OUTLIER -168.93 177.71 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -44.28 -32.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -41.08 -28.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 30.1 mt-10 60.26 41.81 16.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 60' ' ' GLY . 7.6 mt-10 -75.61 -176.27 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -34.89 103.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.558 HG12 ' CE2' ' A' ' 53' ' ' TYR . 56.6 mt -40.5 134.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 111.14 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' CD2' ' HG3' ' A' ' 54' ' ' ARG . 1.7 mt -84.67 -31.16 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -178.4 147.27 7.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.0 p -107.35 161.55 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 52.1 mt -135.49 123.25 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.07 115.14 21.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 20.6 mt -76.77 -42.04 2.81 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.603 0.716 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -47.96 -24.52 5.32 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.409 ' HB2' ' NE2' ' A' ' 91' ' ' HIS . 32.9 p -94.18 -22.17 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.565 ' CD1' ' HB1' ' A' ' 89' ' ' ALA . 8.3 m-85 -83.15 157.78 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -121.11 106.47 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 mm -80.17 119.04 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.95 134.29 18.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mt -43.56 146.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 42.8 mt -65.16 154.42 38.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.3 p -129.15 -178.98 4.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 m -63.37 -43.73 96.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -51.45 -43.49 62.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -46.16 -27.91 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.3 m170 58.78 25.82 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.598 ' CD1' ' CD2' ' A' ' 98' ' ' TYR . 97.2 mt -100.19 -46.72 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.6 35.83 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.454 ' CB ' HG23 ' A' ' 81' ' ' ILE . 9.7 tpt180 -107.71 119.7 40.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -71.55 176.3 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 41.87 41.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.463 ' HB2' ' CB ' ' A' ' 100' ' ' CYS . . . -144.33 161.4 39.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -143.84 -177.83 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.2 pttp -142.51 145.23 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -117.22 117.1 28.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.11 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.79 144.21 25.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 17.2 t-80 -131.89 140.58 38.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.65 -45.65 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -96.9 11.03 37.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.516 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.0 mtp -148.01 -177.8 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -84.39 -175.95 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.9 m -99.53 119.75 38.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.413 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 2.8 m-85 -87.82 168.41 12.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.598 ' CD2' ' CD1' ' A' ' 81' ' ' ILE . 28.8 m-85 -145.99 127.45 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -126.86 152.79 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 86' ' ' ALA . 17.5 p -147.62 159.95 43.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.411 ' HB ' ' CB ' ' A' ' 106' ' ' GLU . 50.8 p -127.39 -175.09 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.38 -44.33 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.0 p -131.06 171.58 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.55 -40.24 77.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -55.47 -61.96 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.298 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.411 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 11.5 mm-40 -49.5 -20.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 6.5 ttt -89.31 -38.56 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -69.0 -35.16 76.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.28 -40.6 86.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.432 ' CD1' HD11 ' A' ' 27' ' ' LEU . 20.7 m95 -76.06 -47.83 23.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 112' ' ' LYS . 11.8 mmm -60.06 -62.66 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' MET . 14.6 mmtp -34.8 -42.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.65 -63.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 118' ' ' ALA . 27.0 mtt -39.06 -55.74 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.65 -38.62 60.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.65 -38.78 73.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.55 -17.03 49.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 114' ' ' MET . . . -90.27 -44.81 9.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 120' ' ' VAL . 0.6 OUTLIER -70.66 -23.41 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 119' ' ' LEU . 7.2 p -33.47 125.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -96.47 44.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 123' ' ' SER . 11.4 t -96.85 -10.61 26.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 122' ' ' THR . 29.2 t 34.89 46.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -42.29 -83.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.15 140.58 10.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 85.4 p -93.68 143.98 25.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.0 p -54.98 106.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -126.88 -41.01 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.347 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 45.81 46.81 12.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.6 41.25 1.25 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -61.86 139.19 58.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -115.95 -57.35 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.55 -163.29 26.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -133.64 -53.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 70.21 41.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t -106.56 93.89 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.75 -60.25 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -118.22 172.56 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 14' ' ' LYS . 31.7 mt -116.03 135.86 54.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' N ' HG23 ' A' ' 13' ' ' ILE . 18.8 tptm -114.1 130.2 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 -61.3 163.23 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -126.19 94.12 41.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -43.56 -45.6 10.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.32 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -56.86 -48.11 78.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.8 105.61 0.51 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.76 142.7 7.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.9 t -94.11 122.14 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.26 -52.78 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 23' ' ' ARG . 17.7 ttm105 -167.42 140.24 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -130.67 127.3 38.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.41 160.08 31.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.517 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 92.5 m95 -72.96 90.12 1.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.83 0.347 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.556 ' HB3' ' CD2' ' A' ' 43' ' ' PHE . 35.2 tp -85.9 161.66 18.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.439 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 50.0 m-85 -111.33 128.02 55.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -109.76 150.67 28.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -83.66 147.27 27.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -137.51 -176.86 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' THR . 7.7 t -108.05 -71.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 32' ' ' SER . 72.0 p 33.83 36.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' SER . . . 85.45 -37.73 3.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.511 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' SER . 57.3 mtp -124.89 139.01 54.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 81.38 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mt -111.65 170.04 8.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -103.29 151.79 22.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -124.56 146.1 49.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -89.0 125.64 35.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -149.7 157.83 43.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 33.3 t-105 -88.93 106.5 18.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 14.1 m-85 -101.2 151.89 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -144.98 132.25 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.04 101.29 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -139.4 145.68 39.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 49.03 49.18 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.3 mt 40.59 44.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.8 t -148.7 163.2 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -101.0 135.94 41.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -142.05 122.29 13.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.485 ' CE2' ' O ' ' A' ' 63' ' ' GLY . 31.7 p90 -124.43 148.07 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -126.68 -178.31 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 ptt85 -76.67 -22.93 53.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -163.95 174.53 11.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.71 -8.03 5.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -69.24 -21.36 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . 28.5 mt-10 48.56 53.42 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -107.23 70.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.67 106.79 2.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 96.0 mt -65.63 130.12 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.27 -30.19 57.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.485 ' O ' ' CE2' ' A' ' 52' ' ' TYR . . . -177.31 137.85 3.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.434 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -102.03 147.83 26.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.4 mt -124.87 122.27 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.33 111.0 16.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.6 mt -69.94 -43.04 19.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.6 Cg_exo -47.95 -24.07 4.87 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.412 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 62.4 m -93.97 -22.47 18.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 10.1 m-85 -83.73 162.36 20.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.53 108.24 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 mm -80.28 114.41 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.63 135.72 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.47 134.26 50.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 mt -41.65 164.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 78' ' ' GLU . 74.1 p -154.29 164.97 37.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 76' ' ' THR . 83.8 p -34.21 -35.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' THR . 30.3 mt-10 -49.62 -52.1 32.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 76' ' ' THR . 1.0 OUTLIER -81.7 116.43 21.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -94.51 40.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.596 ' CD1' ' CD2' ' A' ' 98' ' ' TYR . 83.0 mt -77.43 146.7 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -82.77 -37.14 24.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -62.23 147.41 48.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -116.35 -178.08 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 51.05 37.82 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' HB3' ' CB ' ' A' ' 100' ' ' CYS . . . -126.28 169.85 12.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -135.1 -177.79 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -142.38 150.86 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.486 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -121.49 119.27 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.27 141.9 28.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.062 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 24.2 t-80 -134.11 140.33 35.83 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.633 0.73 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.503 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.38 -49.25 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -91.18 9.79 29.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.537 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 28.8 mtp -147.7 -176.54 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -89.63 179.95 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.0 m -90.74 121.0 32.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -87.76 163.71 16.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.596 ' CD2' ' CD1' ' A' ' 81' ' ' ILE . 24.8 m-85 -139.56 127.12 21.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -129.24 147.7 51.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.413 ' CB ' ' HB3' ' A' ' 86' ' ' ALA . 8.3 p -144.11 162.72 35.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.5 p -130.34 -177.57 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -42.51 24.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -136.79 175.95 9.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.79 -37.59 90.57 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -58.57 -64.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -45.4 -21.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.7 ttt -87.38 -47.81 8.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.11 -28.8 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.463 ' HB3' ' NE ' ' A' ' 23' ' ' ARG . 67.9 mt -74.64 -32.11 62.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -82.45 -43.42 17.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.8 mtp -63.75 -61.84 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' MET . 7.3 mmmm -37.52 -41.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.24 -61.4 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 22.9 mtt -43.03 -56.41 3.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -50.9 -39.98 55.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.9 -33.51 68.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.73 -47.84 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 120' ' ' VAL . . . -55.31 -54.58 41.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -40.14 -27.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 118' ' ' ALA . 98.2 t -55.94 132.43 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -110.59 47.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.2 t -86.56 28.21 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 66.6 m -75.89 144.88 40.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -105.0 -81.21 1.45 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.27 88.97 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.9 t -128.92 169.67 14.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 83.2 p -108.56 149.36 28.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -81.0 165.6 21.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -113.11 170.4 8.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.26 79.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -117.26 163.67 15.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.365 . . . . 0.0 110.855 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -87.45 138.44 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.12 -174.09 21.22 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.08 141.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.332 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -120.44 97.61 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' ASN . 7.7 m -127.6 119.71 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' SER . 26.9 m120 -38.4 -61.84 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -87.75 178.44 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.411 ' CD1' HD22 ' A' ' 66' ' ' LEU . 16.3 mt -124.83 138.32 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -102.39 136.39 42.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 ttt85 -85.46 122.74 30.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -81.42 113.49 42.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.85 -55.66 3.44 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.388 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ALA . 2.5 m-80 -45.98 -50.56 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASN . . . -34.68 101.75 0.21 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.52 142.53 6.74 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -98.34 125.74 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.84 -57.29 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -169.53 134.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.79 132.38 54.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.19 152.12 22.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.406 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 78.9 m95 -61.42 98.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.332 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HB3' ' CD2' ' A' ' 43' ' ' PHE . 22.0 tp -102.14 154.83 18.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -105.35 145.71 30.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -129.45 157.36 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -98.42 136.58 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -111.45 160.31 17.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -103.64 -64.69 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -45.64 -34.56 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.6 -139.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.7 mtm -115.68 38.28 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp 54.51 41.16 32.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -108.85 -179.44 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -107.38 125.12 50.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -100.15 151.39 21.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -95.91 114.83 26.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mmt-85 -141.7 144.15 33.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.408 ' O ' ' CB ' ' A' ' 52' ' ' TYR . 23.0 t-105 -69.47 131.21 44.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.416 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 36.9 m-85 -126.8 137.0 53.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.9 t -131.58 129.21 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.05 100.27 11.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.87 153.29 40.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t70 54.47 34.95 22.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 2.1 mm? 52.01 37.2 20.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 t -146.44 163.61 35.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -99.03 126.9 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -132.11 125.45 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 29.6 p90 -128.3 158.78 37.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -135.33 -177.75 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.94 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -63.44 -30.68 71.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -165.81 178.72 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -50.78 -30.72 14.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -27.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 27.3 mt-10 56.09 43.69 26.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -103.19 95.72 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.45 113.76 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.408 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 96.6 mt -76.49 125.12 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 62' ' ' LEU . 1.1 mt -72.46 -30.9 64.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -179.11 140.08 4.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.427 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.4 p -98.62 152.95 19.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 51.4 mt -130.9 124.46 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.187 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' A' ' 13' ' ' ILE . 4.2 mm? -82.11 115.76 21.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.624 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.1 mt -73.74 -43.34 6.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.5 Cg_exo -47.96 -25.14 5.95 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.408 ' HB2' ' NE2' ' A' ' 91' ' ' HIS . 46.1 p -92.16 -23.84 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.521 ' CD1' ' HB1' ' A' ' 89' ' ' ALA . 9.3 m-85 -84.51 148.52 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -111.2 109.59 19.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.442 ' CB ' HD23 ' A' ' 115' ' ' LEU . 4.5 mm -80.2 117.17 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.25 137.03 20.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.26 142.58 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.2 mt -55.13 161.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.6 t -126.19 165.42 18.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.8 p -47.4 -36.85 10.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' ASP . 5.3 mm-40 -61.4 -33.97 74.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 78' ' ' GLU . 1.5 p-10 -35.44 -47.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.404 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 13.9 m170 61.62 29.92 18.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 85.2 mt -109.36 130.72 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -87.72 41.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -133.17 103.21 5.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -80.34 176.47 9.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 58.67 34.41 23.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' A' ' 100' ' ' CYS . . . -132.23 169.7 16.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.1 p90 -141.51 -177.22 5.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -145.84 138.69 25.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.521 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -110.77 120.22 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.81 144.77 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 19.8 t-80 -129.79 140.3 38.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.0 Cg_endo -73.37 -46.56 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -95.62 9.79 39.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.512 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.8 mtp -147.82 -179.88 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -82.7 -175.21 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.8 m -96.89 122.65 40.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -88.18 168.24 12.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.7 138.55 32.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -143.5 138.2 29.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 86' ' ' ALA . 8.3 p -133.74 162.03 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.5 p -127.3 -175.38 3.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.61 -40.74 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -131.24 170.3 14.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.42 -46.72 79.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 107' ' ' MET . 7.8 tppt? -53.23 -64.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -40.24 -26.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' LYS . 2.3 ttt -87.24 -40.67 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.6 pt-20 -64.65 -39.47 93.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.2 mt -66.03 -39.37 90.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -74.33 -41.71 60.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' LYS . 6.0 mtt -66.09 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' MET . 19.8 mmmt -37.23 -41.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -77.03 -63.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.1 mtt -38.3 -50.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.442 HD23 ' CB ' ' A' ' 72' ' ' ILE . 3.8 mm? -57.5 -37.43 72.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 113' ' ' ALA . 5.9 t0 -54.17 -43.54 70.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.69 -50.5 8.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.64 -47.06 58.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.6 pp -48.36 -29.8 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.442 HG11 ' N ' ' A' ' 121' ' ' GLN . 79.4 t -52.4 138.58 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.442 ' N ' HG11 ' A' ' 120' ' ' VAL . 31.3 mt-30 -115.16 88.18 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.4 t -129.47 38.73 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 t -136.95 173.11 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -74.46 -172.23 27.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.98 39.07 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.729 2.286 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 77.7 p -93.61 107.68 19.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.4 t -151.55 123.87 8.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 m -45.91 127.01 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -114.34 96.17 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.93 152.05 12.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -118.27 106.78 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 m -105.44 91.34 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.34 76.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -75.1 118.77 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 46.1 40.22 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -58.26 129.85 43.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -70.49 -47.53 60.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -122.97 171.11 9.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.462 ' CD1' HD23 ' A' ' 66' ' ' LEU . 22.0 mt -121.27 153.61 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -133.66 131.81 39.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 5.1 ttp-105 -63.21 122.04 15.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.455 ' ND2' ' HD2' ' A' ' 17' ' ' PRO . 2.8 t30 -70.78 142.31 88.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.455 ' HD2' ' ND2' ' A' ' 16' ' ' ASN . 63.9 Cg_endo -77.91 -49.14 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.371 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -52.88 -44.7 67.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.22 136.21 80.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 111.057 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.95 173.84 12.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -112.05 124.22 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.81 -59.89 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -161.76 142.02 10.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -132.34 122.88 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.408 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -152.79 168.9 31.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -81.51 99.22 8.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.6 tp -99.63 149.14 23.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -94.4 127.16 40.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -109.76 136.03 49.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -89.34 165.65 14.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -100.01 170.31 8.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -111.33 -48.11 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.3 t -91.26 171.62 9.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.181 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.9 -109.32 0.7 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 83.1 mmm -99.14 175.77 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.69 43.01 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.2 mt -73.81 164.94 25.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.442 ' CE3' ' SG ' ' A' ' 100' ' ' CYS . 85.5 m95 -93.55 133.48 36.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -118.61 141.1 48.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -86.21 135.2 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -159.36 142.16 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.41 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 26.5 t-105 -72.49 119.89 17.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -115.46 151.89 33.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.3 t -143.19 132.65 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.55 105.94 16.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -141.84 151.59 42.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 t70 43.51 37.74 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 1.8 mm? 52.51 41.68 31.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.583 ' SG ' ' CZ ' ' A' ' 51' ' ' PHE . 46.4 t -142.42 154.45 44.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 mt -94.31 130.48 40.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.583 ' CZ ' ' SG ' ' A' ' 49' ' ' CYS . 56.1 m-85 -141.73 131.61 24.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.7 p90 -131.99 164.71 25.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -144.64 160.19 41.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.2 -44.53 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -147.42 -175.33 4.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.9 pt-20 -66.14 -12.48 56.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -54.44 -23.96 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.05 53.89 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -121.89 103.27 8.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.05 119.26 0.1 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.447 HG12 ' CE2' ' A' ' 53' ' ' TYR . 80.7 mt -79.97 129.77 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.11 -28.69 35.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -179.41 130.65 1.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -98.54 148.18 24.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.9 mt -125.87 123.34 63.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 13' ' ' ILE . 4.1 mm? -80.24 110.6 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.0 mt -70.15 -42.21 16.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.6 Cg_exo -47.94 -25.18 5.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.41 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 10.7 m -92.67 -25.58 18.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.558 ' CD1' ' HB1' ' A' ' 89' ' ' ALA . 10.3 m-85 -79.9 162.13 25.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -123.82 106.98 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 mm -80.84 115.03 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.42 139.63 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -51.28 135.03 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 50.2 mt -43.72 163.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.8 p -127.54 -176.51 3.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -66.08 -18.32 65.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -88.84 21.02 3.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 80' ' ' HIS . 1.7 p-10 -91.47 -43.3 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.458 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 8.8 m170 49.53 39.59 17.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.2 mt -101.05 149.58 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -86.28 -42.94 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -65.73 145.28 56.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 85' ' ' TYR . 13.9 ptmt -111.77 172.73 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.468 ' CD1' ' HG3' ' A' ' 84' ' ' LYS . 2.8 m-85 62.21 39.65 12.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -125.2 164.73 19.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -134.47 175.67 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.2 pttp -134.89 151.35 50.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -122.24 119.95 32.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.07 137.76 32.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 13.5 t-80 -125.07 140.75 36.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.76 -49.18 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -92.04 6.64 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.498 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 26.3 mtp -144.44 -178.93 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -175.0 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.6 m -93.85 120.82 34.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -87.79 169.88 11.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -141.76 139.57 32.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -143.5 138.14 29.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.442 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 21.5 p -133.66 161.78 33.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.0 p -127.62 -175.13 3.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -87.43 -38.24 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.2 p -139.73 178.62 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.06 -32.78 85.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -65.84 -62.2 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -46.36 -20.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.3 ttt -88.02 -41.56 13.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -64.38 -40.67 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.55 -34.79 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -79.68 -44.67 20.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' LYS . 8.0 mtp -62.43 -63.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' MET . 15.1 mmtp -36.64 -42.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -78.32 -62.66 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 37.5 mtt -39.78 -56.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.64 -36.22 45.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.412 ' HA ' ' CD2' ' A' ' 119' ' ' LEU . 3.7 t70 -56.59 -33.6 66.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.32 -48.28 8.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.53 -47.87 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -46.46 -31.1 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.3 t -49.59 131.61 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -105.54 58.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.1 t -107.41 29.8 6.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.4 m -109.81 175.62 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 105.99 -145.18 15.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -43.75 126.3 5.62 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.28 . . . . 0.0 112.32 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.3 m -52.63 134.98 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.0 m -76.24 100.04 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -110.91 175.88 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -97.96 93.36 6.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.28 93.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -166.61 117.61 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -55.52 -17.09 4.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.6 -61.76 4.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -97.42 153.43 18.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.715 0.293 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -112.68 151.63 29.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' ASN . 7.7 t -121.71 168.4 11.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' SER . 45.4 t-20 -34.46 -47.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 p -121.85 162.19 21.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.447 ' CD1' HD23 ' A' ' 66' ' ' LEU . 39.6 mt -121.07 133.3 68.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -101.91 129.07 48.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.446 ' CD ' HD12 ' A' ' 61' ' ' ILE . 5.4 mtp-105 -66.96 -179.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -133.76 94.3 19.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -43.02 -51.81 5.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.258 . . . . 0.0 112.382 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -52.15 -48.95 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.99 104.49 0.4 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.527 0.68 . . . . 0.0 111.097 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.11 128.53 14.17 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.396 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.5 t -79.71 124.22 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.7 t -63.43 -51.59 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 109' ' ' LEU . 5.2 ttp-105 -173.68 140.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -126.6 124.44 39.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.67 158.77 28.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -70.81 97.02 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.542 HD13 ' CD1' ' A' ' 110' ' ' TRP . 13.6 tp -96.79 141.14 30.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -88.3 141.17 28.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -133.81 139.47 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.78 155.48 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -112.44 117.38 32.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.8 t -61.32 -54.47 43.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.4 t -86.43 85.57 7.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.26 -124.72 1.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 75.6 mtp -123.86 39.99 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 42.85 37.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' C ' ' HE3' ' A' ' 39' ' ' LYS . 91.9 mt -87.97 163.32 16.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.42 ' C ' ' HE2' ' A' ' 39' ' ' LYS . 44.2 m95 -91.26 114.54 27.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HE2' ' C ' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -97.98 147.7 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -82.2 136.29 35.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -157.99 147.33 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -81.38 106.87 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 22.0 m-85 -104.85 138.96 40.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.9 t -130.39 131.52 65.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.27 101.47 12.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -140.77 152.79 45.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 43.6 53.51 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.444 ' CA ' ' HB1' ' A' ' 117' ' ' ALA . 3.0 mm? 36.41 49.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 86.7 m -151.74 175.98 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -117.4 136.83 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.44 ' CE2' ' HG2' ' A' ' 15' ' ' ARG . 76.4 m-85 -141.86 135.96 30.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -133.53 146.42 51.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -131.05 168.01 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 89.3 mtt180 -49.28 -46.87 46.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -153.4 -179.78 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -55.2 -16.17 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -58.81 -11.19 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 40.97 51.38 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -112.66 114.08 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.71 113.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.506 HG12 ' CE2' ' A' ' 53' ' ' TYR . 69.2 mt -75.9 130.08 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.422 ' CD2' ' HG3' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -77.91 -24.83 48.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.92 144.34 5.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.9 p -107.16 146.37 31.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.1 mt -120.87 124.95 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.447 HD23 ' CD1' ' A' ' 13' ' ' ILE . 4.2 mm? -85.85 109.38 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.603 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.7 mt -66.61 -44.26 54.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.586 0.708 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.7 Cg_exo -47.95 -25.04 5.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.404 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 30.5 m -92.51 -21.78 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 9.9 m-85 -85.46 164.64 17.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -126.93 107.53 10.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.43 ' CB ' HD21 ' A' ' 115' ' ' LEU . 4.3 mm -80.24 112.73 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.28 137.79 22.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -50.11 152.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.8 mt -66.26 155.95 35.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 p -128.57 170.85 12.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.8 m -51.43 -34.73 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.505 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 19.8 mt-10 -55.27 -55.05 35.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -49.03 125.7 11.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 78' ' ' GLU . 7.7 m170 -91.13 47.66 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.558 HD13 ' CE1' ' A' ' 98' ' ' TYR . 56.4 mt -121.65 -52.03 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 61.2 25.8 15.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.415 ' CG ' ' HB2' ' A' ' 86' ' ' ALA . 6.8 tpm_? -74.77 125.95 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 4.6 mmmt -67.4 161.51 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.571 ' CD1' ' HB3' ' A' ' 84' ' ' LYS . 8.6 m-85 37.19 28.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 84' ' ' LYS . . . -116.94 147.48 42.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -127.16 -176.17 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -143.45 148.53 36.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.527 ' HB2' ' CD1' ' A' ' 70' ' ' PHE . . . -119.39 119.91 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.135 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.54 136.35 33.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 16.7 t-80 -124.37 140.62 35.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -73.95 -48.37 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -93.21 9.31 36.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.51 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.5 mtp -146.52 179.55 7.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 95' ' ' ARG . 3.5 ptm85 -83.0 -175.87 6.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.0 m -94.0 120.87 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -87.79 161.78 17.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.558 ' CE1' HD13 ' A' ' 81' ' ' ILE . 59.4 m-85 -133.94 127.62 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -128.5 140.92 51.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.408 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . 13.0 p -136.01 162.01 34.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.6 p -133.44 -177.64 4.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.1 -44.71 25.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.8 t -143.68 -175.12 4.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.79 -42.08 97.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -53.83 -64.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.303 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -47.59 -23.7 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.8 ttp -85.71 -40.73 15.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.98 -33.36 74.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 23' ' ' ARG . 71.4 mt -69.7 -32.09 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.542 ' CD1' HD13 ' A' ' 27' ' ' LEU . 17.1 m95 -84.99 -43.67 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' LYS . 3.5 mtt -59.16 -67.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' MET . 1.4 mmpt? -34.31 -45.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.27 -63.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 26.5 mtt -41.69 -54.71 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.43 HD21 ' CB ' ' A' ' 72' ' ' ILE . 3.8 mm? -52.95 -38.45 62.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.42 ' HA ' ' CD2' ' A' ' 119' ' ' LEU . 4.5 t0 -55.43 -42.16 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.444 ' HB1' ' CA ' ' A' ' 48' ' ' LEU . . . -81.61 -52.19 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.24 -50.87 48.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.42 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 1.6 pp -43.34 -28.51 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 80.0 t -54.13 141.37 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -111.74 83.03 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.8 t -127.61 41.24 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.6 p -160.51 173.56 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.81 79.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.75 130.45 12.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.401 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.0 m -108.07 43.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.1 m -108.33 99.68 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 p -141.46 173.03 11.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.378 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 t -53.15 117.71 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.47 114.98 4.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.438 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -80.55 113.1 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -45.0 -58.59 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.26 71.9 1.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.02 145.97 29.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -103.22 105.82 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -132.02 141.05 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -42.95 -41.96 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -122.5 170.28 10.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.1 mt -108.12 141.44 23.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -121.92 137.08 54.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -63.94 169.87 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.423 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 14.8 t30 -116.61 143.18 30.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 16' ' ' ASN . 62.1 Cg_endo -78.0 -46.08 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -58.61 -43.54 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.01 111.66 3.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.42 116.73 4.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -52.97 128.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -72.96 -50.66 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -173.08 143.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -132.64 131.42 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.59 157.97 29.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.466 ' HB3' ' CE ' ' A' ' 40' ' ' LYS . 87.3 m95 -66.32 101.2 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.518 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 30.2 tp -100.41 161.2 13.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 6.1 m-30 -107.3 121.1 43.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -99.17 140.0 33.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 23.8 tt0 -99.52 108.63 21.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.45 125.51 28.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.3 t -87.06 45.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.0 p -127.88 125.29 39.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.55 -101.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.1 mtp -78.24 103.46 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -67.29 75.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.6 mt -101.5 173.22 6.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 30' ' ' GLN . 32.3 m95 -105.16 113.97 27.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 1.3 mptp? -96.25 119.86 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HG2' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -73.26 130.25 39.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -153.17 173.0 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 30.0 t-105 -90.28 129.81 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 21.0 m-85 -123.63 158.47 31.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -150.23 135.42 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.65 98.15 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -138.46 156.25 47.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.02 32.7 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.4 mt 54.71 34.53 21.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 60.1 m -138.82 177.18 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -108.27 135.39 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -144.15 127.09 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 17.6 p90 -128.13 159.85 33.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.564 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -141.75 162.79 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.929 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -41.15 -49.73 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.78 -177.15 5.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.61 -18.42 11.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -59.46 -14.23 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 45.36 50.84 9.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.56 91.2 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.23 128.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 53' ' ' TYR . 94.1 mt -81.78 130.17 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.07 -29.05 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.41 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -173.82 141.56 6.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 p -108.75 150.26 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.0 mt -129.54 131.26 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.74 111.33 21.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.654 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 32.8 mt -72.81 -41.14 6.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.654 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 63.8 Cg_exo -47.92 -25.93 6.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.413 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 25.1 m -93.45 -25.49 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 9.3 m-85 -79.65 154.09 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -119.18 110.15 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.401 ' CB ' HD22 ' A' ' 115' ' ' LEU . 2.4 mm -80.2 120.17 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.57 135.99 21.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.79 135.04 51.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.0 mt -47.96 159.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 77' ' ' SER . 34.2 p -141.96 173.76 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 28.8 t -35.24 -53.74 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -44.54 -45.48 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 76' ' ' THR . 1.9 m-20 -83.77 74.98 10.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 77' ' ' SER . 34.2 m170 -78.94 71.54 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 85.4 mt -99.69 136.76 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -65.33 -36.08 82.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -74.67 124.42 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -96.73 179.44 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 59.61 36.04 22.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.82 162.64 26.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.3 p90 -131.42 -177.17 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -144.89 152.18 39.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.535 ' HB3' ' CD1' ' A' ' 70' ' ' PHE . . . -122.96 122.02 37.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.6 142.41 27.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 16.8 t-80 -132.13 139.62 35.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.731 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.63 -50.08 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -89.61 5.25 46.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.487 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 22.5 mtp -144.12 -176.97 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -88.64 -177.35 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.2 m -92.57 125.22 37.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -91.37 172.46 8.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -146.65 138.97 24.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -141.11 148.57 40.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 p -145.42 159.52 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.1 p -129.32 178.16 6.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -46.76 58.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.6 p -131.05 179.24 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.64 99.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.542 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.472 ' CD ' HD12 ' A' ' 109' ' ' LEU . 3.4 tmmm? -58.01 -61.11 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -46.89 -20.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.45 -41.13 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 4.5 pt-20 -61.65 -46.3 90.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.472 HD12 ' CD ' ' A' ' 105' ' ' LYS . 15.3 mt -52.36 -38.35 58.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -78.13 -48.1 16.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 112' ' ' LYS . 16.3 mtp -58.88 -61.5 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 111' ' ' MET . 26.9 mmtm -38.07 -39.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.18 -61.92 1.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 41.0 mtt -42.9 -57.8 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.401 HD22 ' CB ' ' A' ' 72' ' ' ILE . 4.3 mm? -46.23 -34.09 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -78.46 -31.68 48.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.89 -15.07 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -93.64 -47.39 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' VAL . 0.8 OUTLIER -63.63 -27.58 69.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' LEU . 9.9 p -33.87 139.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.43 ' N ' HG21 ' A' ' 120' ' ' VAL . 88.2 mm-40 -102.36 56.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.7 t -103.7 33.17 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 55.5 p -42.23 110.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -140.66 147.96 19.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.59 86.23 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.28 . . . . 0.0 112.383 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.6 m -124.05 87.78 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.8 t -60.21 134.59 57.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -154.62 124.09 6.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.381 . . . . 0.0 110.787 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -93.88 171.13 9.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.61 -170.8 12.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.495 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -154.42 141.38 19.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.822 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -171.58 160.09 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.56 -150.89 5.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -147.45 120.01 8.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 ttm105 -70.98 118.98 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 m -133.5 165.99 23.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -78.55 -58.11 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 t -58.14 175.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 14' ' ' LYS . 24.2 mt -110.2 139.13 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 15' ' ' ARG . 3.3 tmtm? -114.44 136.49 52.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 51.1 ttt-85 -89.66 151.2 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -115.09 94.57 39.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.607 0.718 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -43.67 -49.81 7.61 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -49.1 -49.89 39.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -38.29 102.37 0.24 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.576 0.703 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -44.29 105.12 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.258 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.19 130.17 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.0 t -72.23 -50.03 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -174.94 136.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -124.26 129.33 50.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.39 153.46 24.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.439 ' CD2' ' HE3' ' A' ' 40' ' ' LYS . 96.7 m95 -61.69 100.85 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.2 tp -100.47 146.01 27.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -94.9 136.98 34.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -124.16 152.92 42.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.447 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 36.7 tt0 -105.49 154.39 20.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -86.66 167.12 14.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.1 m -118.12 43.09 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.5 147.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.159 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.68 -126.9 33.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.83 133.36 47.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 1.5 mptm? -98.76 67.51 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -93.45 178.15 5.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -109.2 124.92 51.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -95.91 165.87 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.439 ' HE3' ' CD2' ' A' ' 26' ' ' TRP . 35.9 tptt -116.96 125.85 52.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 54' ' ' ARG . 1.6 tpm_? -156.79 155.01 30.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.494 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 55.3 t-105 -80.11 123.45 27.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -115.8 164.01 15.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.1 t -152.19 136.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.35 99.27 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 t -142.64 151.14 41.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.08 38.6 24.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.8 mt 49.67 38.82 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.454 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 6.3 t -143.39 169.4 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -109.45 132.98 53.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 49' ' ' CYS . 78.8 m-85 -142.1 135.45 29.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE2' ' O ' ' A' ' 63' ' ' GLY . 19.9 p90 -133.64 161.45 34.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -143.93 158.95 43.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' NH2' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -35.76 -50.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -145.53 176.08 9.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.494 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 7.4 pt-20 -52.06 -24.89 7.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -49.29 -23.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 60.9 40.97 14.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -92.3 101.61 14.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.64 133.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.484 HG12 ' CE2' ' A' ' 53' ' ' TYR . 94.6 mt -84.81 131.29 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.44 -12.3 52.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.506 ' O ' ' CE2' ' A' ' 52' ' ' TYR . . . 167.98 135.53 1.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.4 p -104.62 151.22 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.2 mt -130.7 127.73 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.46 110.9 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 12.0 mt -69.0 -43.74 26.74 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.3 Cg_exo -47.99 -26.87 8.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.417 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 50.8 m -91.18 -21.21 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 89' ' ' ALA . 8.8 m-85 -86.59 152.8 22.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -116.81 108.69 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.417 ' CG2' HD21 ' A' ' 115' ' ' LEU . 5.9 mm -80.08 120.05 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.83 133.95 16.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.55 137.89 18.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.3 mt -45.76 171.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.0 t -153.81 164.6 38.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 78' ' ' GLU . 5.7 t -41.24 -57.1 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' SER . 0.8 OUTLIER -36.1 -43.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -59.85 127.19 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -83.77 35.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.561 HD12 ' CE2' ' A' ' 98' ' ' TYR . 51.4 mt -115.23 111.96 37.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -88.86 24.46 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.471 ' HB2' ' CG2' ' A' ' 81' ' ' ILE . 7.5 mmp_? -93.15 -178.31 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -136.68 -177.35 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.414 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 2.0 m-85 43.43 45.82 5.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.97 158.89 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -136.84 178.15 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -133.91 154.1 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.571 ' HB2' ' CD1' ' A' ' 70' ' ' PHE . . . -124.5 122.64 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.03 142.67 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 49.7 t-80 -137.98 140.0 27.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.5 Cg_endo -73.3 -50.28 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -90.4 15.65 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 70' ' ' PHE . 38.8 mtm -152.31 -174.99 5.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.33 -177.52 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.3 m -88.94 126.96 35.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 3.0 m-85 -96.57 171.87 8.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.561 ' CE2' HD12 ' A' ' 81' ' ' ILE . 33.3 m-85 -146.39 133.25 20.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -138.11 141.31 40.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.5 p -131.81 162.71 29.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.3 p -129.48 177.19 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.63 -39.28 62.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 0.1 OUTLIER -147.88 171.15 16.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 103' ' ' THR . . . -52.53 -34.44 42.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.466 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.577 ' CD ' ' N ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -60.12 -64.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 105' ' ' LYS . 6.3 mt-10 -46.93 -20.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.9 ttt -89.08 -39.81 13.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.86 -38.11 81.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.457 HD12 ' CE ' ' A' ' 105' ' ' LYS . 64.7 mt -67.37 -51.8 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -60.99 -48.0 83.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.8 mtt -57.66 -59.42 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -39.65 -41.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -79.98 -66.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 113' ' ' ALA . 23.2 mtt -36.68 -58.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.417 HD21 ' CG2' ' A' ' 72' ' ' ILE . 4.4 mm? -52.38 -41.55 63.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.1 t70 -71.03 -24.8 62.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.81 -2.5 37.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.84 -43.77 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.541 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -54.86 -17.85 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.468 ' N ' HD11 ' A' ' 119' ' ' LEU . 4.4 p -72.56 131.08 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -97.22 89.61 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.3 t -158.35 165.39 34.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 m 45.68 52.39 9.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 168.99 -84.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.68 139.79 22.97 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.2 t -101.3 -65.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -151.11 166.18 31.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -80.36 97.96 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 m -63.67 117.53 6.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.83 -179.11 27.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -155.06 153.11 30.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -90.66 -44.07 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.61 169.24 26.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -38.47 148.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -139.4 143.84 37.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -153.46 142.51 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -45.04 -54.24 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.3 m -82.29 178.55 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.1 mt -108.98 134.22 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -116.09 130.69 56.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 8.8 ttp-105 -61.83 135.53 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -87.94 141.64 31.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.62 -45.57 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.301 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -61.06 -31.44 71.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.8 134.82 78.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.598 0.714 . . . . 0.0 111.06 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -79.98 115.65 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.12 123.15 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.33 -56.44 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -167.51 142.34 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -133.07 127.86 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.78 158.03 28.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.577 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 81.8 m95 -70.19 89.45 0.64 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.42 ' HB3' ' CD2' ' A' ' 43' ' ' PHE . 52.9 tp -88.44 157.66 18.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -101.27 134.3 44.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -128.52 152.34 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -76.35 174.0 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.74 -47.66 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 m 58.52 45.29 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.4 p -126.52 35.47 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.62 -46.48 1.08 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 37' ' ' LEU . 10.7 mtp -128.28 110.15 12.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -58.13 78.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 35' ' ' MET . 38.7 mt -115.2 170.09 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -110.62 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -114.58 151.16 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -93.1 138.83 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.7 tpp85 -158.71 152.42 23.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.577 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 21.9 t-105 -78.38 123.24 26.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 31.6 m-85 -119.34 166.13 13.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -156.16 132.32 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.54 97.95 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -135.01 149.68 50.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.2 t0 45.12 45.12 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 46.42 46.29 13.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 34.3 t -149.89 158.4 44.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.7 mt -97.74 137.87 35.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -144.93 124.56 13.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 21.2 p90 -127.55 160.6 31.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -139.89 178.71 7.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.946 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -54.66 -48.87 71.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 10.3 p30 -153.43 -175.54 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -49.48 -32.17 11.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' CB ' ' HG3' ' A' ' 59' ' ' GLU . 6.2 mmmm -47.46 -25.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 55.47 41.07 31.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 57' ' ' LYS . 6.2 mt-10 -91.77 108.22 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.02 133.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.532 HG12 ' CE2' ' A' ' 53' ' ' TYR . 61.0 mt -86.57 125.94 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.02 -34.46 59.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.54 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -169.44 140.31 6.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 p -104.86 148.01 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.9 mt -126.31 125.26 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.04 110.68 19.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.5 mt -67.64 -43.99 42.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.4 Cg_exo -47.98 -25.4 6.32 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.712 2.275 . . . . 0.0 112.379 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.418 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 61.6 m -92.44 -21.67 20.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 9.6 m-85 -85.33 153.77 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -116.51 107.91 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.433 ' CG2' ' SD ' ' A' ' 111' ' ' MET . 5.0 mm -80.14 111.09 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.52 134.34 25.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.81 135.79 47.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 mt -47.17 161.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.9 p -145.21 175.63 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -46.11 -47.31 17.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -43.09 -48.53 6.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -62.14 121.66 13.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -84.21 36.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.539 HD12 ' CE2' ' A' ' 98' ' ' TYR . 56.6 mt -111.62 121.12 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -91.85 38.46 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -97.4 159.46 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.573 ' HE2' ' CE1' ' A' ' 85' ' ' TYR . 21.3 ptmt -122.13 154.1 37.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.573 ' CE1' ' HE2' ' A' ' 84' ' ' LYS . 9.9 m-85 58.61 42.66 20.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.27 154.8 50.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.9 p90 -131.5 172.6 12.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -134.43 151.91 51.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.545 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -121.3 120.15 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.65 137.59 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 43.3 t-80 -129.07 139.84 36.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.565 0.698 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.8 Cg_endo -73.46 -48.71 0.24 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -92.88 17.54 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.499 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 28.3 mtm -154.7 -178.13 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 2.5 ptp180 -87.27 178.67 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 m -88.75 120.56 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -88.93 165.07 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.539 ' CE2' HD12 ' A' ' 81' ' ' ILE . 33.5 m-85 -143.6 131.76 21.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -134.36 144.62 48.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 17.4 p -137.3 162.32 33.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.4 p -130.85 -178.38 4.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -43.5 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 4.7 t -142.94 -179.8 6.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' N ' ' OG1' ' A' ' 103' ' ' THR . . . -57.42 -40.79 92.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.417 ' HE2' ' CD1' ' A' ' 109' ' ' LEU . 2.8 tmtt? -56.76 -64.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.734 0.302 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -46.66 -20.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 ttt -88.32 -41.97 12.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -62.06 -35.16 77.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.417 ' CD1' ' HE2' ' A' ' 105' ' ' LYS . 39.4 mt -64.91 -41.53 95.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -75.58 -51.38 13.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.433 ' SD ' ' CG2' ' A' ' 72' ' ' ILE . 14.4 mmm -57.05 -59.35 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 111' ' ' MET . 27.4 mmtm -37.85 -41.29 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -82.88 -65.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 113' ' ' ALA . 29.6 mtt -34.33 -56.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.48 -41.55 60.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 113' ' ' ALA . 7.5 t0 -58.7 -27.33 64.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.453 ' O ' ' CG2' ' A' ' 120' ' ' VAL . . . -91.07 -45.18 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 120' ' ' VAL . . . -61.8 -52.35 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.445 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 1.2 pp -36.87 -32.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 117' ' ' ALA . 94.1 t -43.93 138.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -105.05 46.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.2 t -89.5 30.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.1 m -65.7 133.05 50.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -139.19 95.29 0.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -45.13 -35.04 10.24 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.3 m -75.36 87.31 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.2 t -90.09 95.75 10.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.443 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -52.17 -55.37 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.0 m -93.37 -46.09 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.79 -112.39 1.18 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -156.72 151.87 26.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -76.99 -44.95 29.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.91 171.69 12.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.87 165.6 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -98.73 146.89 25.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -87.56 -57.29 3.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -42.45 -52.82 4.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 p -135.15 163.66 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mt -107.73 134.51 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -126.47 131.74 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ttp-105 -58.76 158.64 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -122.32 97.43 45.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.701 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -42.57 -52.49 4.41 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.667 2.244 . . . . 0.0 112.295 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -48.63 -49.39 37.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.81 102.13 0.26 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 111.087 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.26 102.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.246 . . . . 0.0 112.345 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.7 125.27 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.49 -48.31 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -174.94 145.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' N ' ' HD3' ' A' ' 23' ' ' ARG . 14.5 ptt180 -135.34 128.46 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.11 156.01 27.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.553 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 82.6 m95 -65.97 92.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD12 ' CD1' ' A' ' 110' ' ' TRP . 27.0 tp -85.03 160.59 19.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -109.0 128.82 55.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -123.82 149.93 45.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -58.36 177.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -124.83 -39.08 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 m 59.92 49.77 7.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.0 p -133.14 73.72 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.01 -48.67 3.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' LEU . 89.9 mtp -133.9 127.59 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -59.16 80.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' MET . 14.7 mt -109.09 171.15 7.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -111.03 157.12 20.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -138.6 145.69 40.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -80.74 128.74 33.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -151.91 145.37 24.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.553 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 22.2 t-105 -75.28 135.1 40.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -135.96 150.08 49.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -139.22 126.64 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.5 100.52 12.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -144.55 154.43 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t70 47.03 42.13 12.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.597 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER 45.82 42.55 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.9 m -146.06 169.2 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -107.67 134.02 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -141.34 128.04 20.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 42' ' ' TRP . 21.0 p90 -131.18 156.39 45.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -131.65 175.48 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -60.32 -34.32 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -161.36 -178.34 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.62 -34.35 58.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -48.17 -26.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.528 ' HG2' ' CD1' ' A' ' 53' ' ' TYR . 40.8 mt-10 52.08 45.98 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -101.46 81.82 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.41 114.92 3.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.416 HG12 ' CE2' ' A' ' 53' ' ' TYR . 96.3 mt -76.81 123.95 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -71.85 -30.85 65.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.33 144.52 6.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.442 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 p -104.72 153.44 21.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.3 mt -130.34 124.92 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.62 107.95 16.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 17.3 mt -68.44 -42.43 27.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 66.3 Cg_exo -48.08 -24.86 5.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.419 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 56.3 m -94.56 -21.33 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 9.8 m-85 -83.12 162.18 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -127.31 109.37 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.1 mm -80.09 120.93 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.23 141.45 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.44 ' N ' HD21 ' A' ' 74' ' ' LEU . 3.6 mm? -63.57 136.01 57.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.5 mt -52.61 168.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 31.3 p -151.05 175.24 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.5 t -50.41 -24.11 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -62.07 -46.61 88.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' CD1' ' A' ' 81' ' ' ILE . 28.7 t0 -62.34 139.54 58.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -91.99 29.87 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.507 ' CD1' ' OD2' ' A' ' 79' ' ' ASP . 4.2 mt -116.36 142.49 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -119.07 41.75 2.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -94.76 143.38 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -81.31 162.56 23.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.49 ' CD2' ' HA2' ' A' ' 104' ' ' GLY . 15.3 m-85 33.94 54.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.42 148.66 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 3.6 p90 -139.33 166.8 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -134.33 152.93 52.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.486 ' HB3' ' CD1' ' A' ' 70' ' ' PHE . . . -118.68 129.3 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.88 142.64 30.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 25.7 t-80 -136.9 140.27 31.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -74.09 -48.86 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -90.91 11.23 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.477 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 44.8 mtm -148.29 -175.72 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -91.82 -177.79 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 m -91.55 122.63 34.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -88.81 173.16 8.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.454 ' CE2' HD12 ' A' ' 81' ' ' ILE . 59.9 m-85 -148.59 131.02 15.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.497 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 12.4 m-85 -136.13 133.91 37.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.79 162.78 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.1 p -129.13 -175.41 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.92 -26.74 20.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.74 173.96 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.49 ' HA2' ' CD2' ' A' ' 85' ' ' TYR . . . -57.54 -53.2 46.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' GLU . 6.4 tmtt? -49.54 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.731 0.3 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -42.36 -24.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 105' ' ' LYS . 3.1 ttt -90.07 -37.07 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.7 pt-20 -63.23 -35.1 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.7 mt -66.18 -38.86 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.511 ' CD1' HD12 ' A' ' 27' ' ' LEU . 19.3 m95 -75.27 -51.0 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 112' ' ' LYS . 18.7 mtp -57.13 -64.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 111' ' ' MET . 27.6 mmtt -34.14 -40.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.83 -60.85 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 118' ' ' ALA . 36.9 mtt -44.64 -54.97 5.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.22 -34.14 30.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.55 -31.39 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.419 ' HB1' ' CA ' ' A' ' 48' ' ' LEU . . . -87.94 -9.84 52.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 114' ' ' MET . . . -99.64 -46.74 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 120' ' ' VAL . 0.8 OUTLIER -64.05 -29.13 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.444 HG22 ' N ' ' A' ' 121' ' ' GLN . 3.7 p -35.27 135.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.444 ' N ' HG22 ' A' ' 120' ' ' VAL . 87.6 mm-40 -91.71 96.33 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.6 t -165.59 140.24 4.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -149.09 111.75 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -82.48 -95.25 0.53 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.531 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.99 177.6 8.59 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 t -109.08 -48.77 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.7 p -102.52 134.86 45.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -165.42 177.65 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -130.66 123.93 30.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.74 75.35 0.39 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -152.23 131.57 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.836 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -83.63 112.33 19.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.06 94.82 0.58 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -103.52 -46.34 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -145.66 148.62 33.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 m -50.38 96.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.03 125.48 47.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.9 m -105.65 -177.53 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.466 HD12 ' CD2' ' A' ' 66' ' ' LEU . 27.3 mt -123.98 156.39 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 15' ' ' ARG . 5.5 tmtm? -136.23 134.99 38.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.46 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 12.7 ttt85 -92.06 121.88 34.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -85.3 112.97 47.77 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.61 0.719 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -46.41 -56.91 2.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' ALA . 63.6 m-80 -44.56 -51.41 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 18' ' ' ASN . . . -36.65 101.76 0.22 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.565 0.698 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.5 132.36 15.98 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -81.11 115.78 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.67 -48.22 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -172.15 144.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -139.18 127.94 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.53 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -161.29 161.13 32.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.519 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 96.1 m95 -71.29 96.16 1.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 110' ' ' TRP . 36.9 tp -97.72 155.96 16.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 41.1 m-85 -103.44 132.5 49.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -118.89 169.59 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' OE1' ' CE3' ' A' ' 38' ' ' TRP . 4.1 tp60 -97.34 133.87 41.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.45 144.37 27.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -66.74 -59.3 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -72.68 132.57 43.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.45 -168.31 12.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.8 mtm -88.48 43.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.97 44.93 29.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.9 mt -80.9 169.25 17.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.449 ' CE3' ' OE1' ' A' ' 30' ' ' GLN . 58.2 m95 -100.4 139.69 35.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -119.19 142.2 48.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 66.8 tttt -87.93 137.61 32.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -161.02 144.16 12.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.53 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 23.0 t-105 -70.1 113.25 7.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 26.5 m-85 -109.95 148.08 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.1 t -138.43 136.98 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.06 98.02 7.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 p -134.07 154.79 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.6 t0 45.88 34.3 1.87 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 1.2 mm? 54.9 38.84 31.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.5 m -139.71 176.95 8.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -112.34 129.86 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -140.48 125.3 18.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 12.0 p90 -124.71 154.25 41.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -134.48 176.21 8.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.957 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.6 mtt-85 -58.98 -44.2 91.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -157.06 -176.9 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -52.87 -22.11 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -22.17 12.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 52.46 34.74 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -85.38 98.84 10.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.2 141.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.479 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 86.4 mt -91.76 129.55 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mt -78.29 -24.27 46.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.514 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 178.78 138.52 3.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -105.8 150.1 25.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.813 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.5 mt -128.78 126.13 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.466 ' CD2' HD12 ' A' ' 13' ' ' ILE . 4.2 mm? -84.07 110.11 18.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 17.3 mt -69.49 -42.49 20.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.544 0.688 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -48.01 -23.95 4.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.419 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 19.5 m -94.02 -24.89 17.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 9.7 m-85 -80.21 157.91 26.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -119.95 106.5 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.83 119.23 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.09 141.31 21.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.408 ' CD2' ' HE1' ' A' ' 111' ' ' MET . 1.2 mm? -58.28 133.11 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.5 mt -44.76 155.78 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' SER . 8.9 t -138.97 171.55 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 78' ' ' GLU . 88.6 p -38.07 -56.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 77' ' ' SER . 8.2 mt-10 -35.64 -49.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -61.1 124.17 19.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -97.38 47.37 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.451 HD12 ' CE2' ' A' ' 98' ' ' TYR . 64.6 mt -112.51 128.99 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.44 41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -113.95 152.67 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 162.42 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 58.05 36.01 25.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.12 157.74 42.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.8 p90 -133.46 179.1 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -139.0 154.99 48.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB3' ' CD1' ' A' ' 70' ' ' PHE . . . -123.14 127.99 49.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.66 132.89 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.54 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 30.1 t-80 -127.18 140.16 37.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.699 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.502 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.63 -49.49 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -88.65 9.52 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.434 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.7 mtm -148.68 -178.14 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -87.78 -178.0 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.8 m -89.64 121.19 31.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -90.4 165.02 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.451 ' CE2' HD12 ' A' ' 81' ' ' ILE . 43.2 m-85 -139.98 134.82 32.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -135.79 139.09 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 16.3 p -136.59 161.77 34.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 p -129.39 -179.95 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -88.23 -33.26 18.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -134.45 176.34 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.52 -44.64 89.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER -56.36 -61.1 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.746 0.308 . . . . 0.0 110.861 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -43.67 -22.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.6 ttt -89.5 -33.83 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.3 pt-20 -69.54 -42.28 74.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.419 ' CD1' ' CD ' ' A' ' 105' ' ' LYS . 49.9 mt -62.18 -35.0 77.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.548 ' CD1' HD11 ' A' ' 27' ' ' LEU . 9.3 m95 -77.49 -45.63 24.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 112' ' ' LYS . 6.7 mtp -61.55 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 111' ' ' MET . 23.8 mmtp -35.1 -43.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -77.28 -66.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 113' ' ' ALA . 19.2 mtt -36.55 -56.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -49.37 -56.54 9.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -48.18 -25.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.94 -21.22 17.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.47 -54.62 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.54 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -46.15 -21.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.45 ' N ' ' CD1' ' A' ' 119' ' ' LEU . 69.1 t -49.69 130.64 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -106.61 69.2 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.3 t -118.52 15.82 13.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.8 t -112.61 153.6 27.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -123.91 96.64 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -43.94 123.04 3.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.36 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m -96.9 126.85 42.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.5 m -142.94 135.23 27.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -150.89 138.16 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -140.88 124.08 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.15 48.92 0.23 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -84.38 163.27 19.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.362 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -129.21 124.33 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.64 91.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.444 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.04 154.67 20.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -70.94 95.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 t -80.79 -49.36 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -48.82 -47.66 42.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 m -82.49 168.69 17.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 14' ' ' LYS . 39.5 mt -117.95 144.5 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' N ' HG23 ' A' ' 13' ' ' ILE . 4.4 tmtt? -128.76 137.61 51.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . 4.5 ttp180 -71.87 157.2 38.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -126.14 139.38 34.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.1 -48.36 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -51.84 -48.99 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.56 102.58 0.28 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.557 0.694 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.21 109.22 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.727 2.284 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.89 125.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -68.36 -58.15 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -166.89 133.33 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' CB ' HG22 ' A' ' 44' ' ' VAL . 6.0 ptt-85 -125.91 122.65 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.52 156.87 27.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.495 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 93.4 m95 -64.68 101.59 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 19.5 tp -105.62 152.45 23.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 40' ' ' LYS . 58.5 m-85 -96.13 135.18 38.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -131.72 145.76 51.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.464 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 6.8 tt0 -78.2 116.53 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.65 146.0 32.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 m -111.92 41.58 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.6 p -122.89 43.68 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.84 -58.93 1.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.454 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -89.5 124.71 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -99.03 80.83 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.7 mt -111.01 167.98 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.504 ' CZ2' ' HG3' ' A' ' 83' ' ' ARG . 79.5 m95 -97.06 93.28 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -96.46 149.97 21.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 28' ' ' TYR . 5.8 tptm -85.0 121.75 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -136.92 155.14 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.495 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 43.0 t-105 -86.64 122.87 31.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 43.4 m-85 -119.82 163.96 16.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG22 ' CB ' ' A' ' 24' ' ' ARG . 78.4 t -153.1 125.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.92 98.15 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 t -134.2 156.66 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.4 t0 41.13 39.73 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 1.1 mm? 50.67 43.42 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 65' ' ' ILE . 16.5 t -145.88 163.52 34.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -101.33 134.23 44.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -142.34 130.83 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.2 p90 -130.1 158.18 40.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.579 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -138.38 179.34 6.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -57.18 -47.27 81.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -154.03 -178.21 6.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -49.13 -33.53 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -30.5 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 60.73 45.93 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -90.96 94.8 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.19 129.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.553 HG12 ' CE2' ' A' ' 53' ' ' TYR . 81.4 mt -79.6 129.16 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -80.57 -31.08 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.518 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -173.92 139.16 4.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 p -103.46 155.96 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.403 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 65.4 mt -135.63 134.86 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.49 111.2 22.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.3 mt -71.05 -42.09 11.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.5 Cg_exo -47.96 -24.49 5.3 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.378 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.9 m -95.0 -20.96 18.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 6.9 m-85 -84.56 149.3 25.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -110.98 108.95 18.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.441 ' CB ' HD22 ' A' ' 115' ' ' LEU . 4.9 mm -79.98 110.83 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.39 136.43 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -46.69 139.03 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.0 mt -40.41 154.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 t -175.28 -175.96 0.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 6.1 t 68.08 50.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 79' ' ' ASP . 4.3 pt-20 46.27 28.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -33.4 128.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -82.38 39.28 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.642 ' CD1' ' CD2' ' A' ' 98' ' ' TYR . 34.8 mt -121.12 110.49 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -84.53 39.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.504 ' HG3' ' CZ2' ' A' ' 38' ' ' TRP . 17.4 mmm180 -91.92 -179.82 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.18 161.3 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 39.84 46.33 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.83 162.83 24.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -138.09 -178.99 5.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -141.0 149.28 41.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.427 ' HB3' ' CD1' ' A' ' 70' ' ' PHE . . . -120.15 118.42 30.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.69 138.5 31.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 25.2 t-80 -123.95 140.34 34.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.5 Cg_endo -74.18 -45.53 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -95.57 12.24 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.498 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 2.9 mpp? -149.05 -175.25 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -86.83 -175.44 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.5 m -94.1 119.93 33.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.95 156.14 18.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.642 ' CD2' ' CD1' ' A' ' 81' ' ' ILE . 21.6 m-85 -129.26 135.98 49.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -137.27 151.97 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.1 p -145.88 161.13 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 p -129.7 -176.63 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -88.37 -45.27 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.8 p -137.5 -177.9 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.57 -51.37 59.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -47.71 -55.0 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.699 0.285 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -55.5 -22.58 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.3 ttt -89.07 -37.51 15.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -70.21 -37.97 75.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.11 -36.29 79.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -80.21 -39.74 28.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 112' ' ' LYS . 1.9 mtt -67.09 -65.16 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 111' ' ' MET . 39.0 mmtt -37.56 -44.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.26 -62.44 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 18.2 mtt -40.22 -54.3 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.441 HD22 ' CB ' ' A' ' 72' ' ' ILE . 4.1 mm? -51.4 -58.96 4.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -46.41 -21.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.69 -26.63 14.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . -80.74 -50.16 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.466 HD11 ' N ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -53.3 -15.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.466 ' N ' HD11 ' A' ' 119' ' ' LEU . 78.9 t -52.94 129.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -100.0 79.18 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 t -141.08 124.59 16.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.4 p -87.26 -51.35 6.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 120.96 100.59 1.74 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.51 152.93 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 66.8 p 43.1 41.51 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 99.2 p -56.49 151.38 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -79.59 116.35 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -168.57 146.65 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.73 105.09 1.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -157.99 130.3 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.38 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -131.74 114.5 14.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.44 109.73 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.25 170.32 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.784 0.325 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -103.3 60.11 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.6 p -105.77 149.91 26.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -65.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 p -90.57 173.1 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.3 mt -118.34 140.24 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.1 127.12 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -48.61 164.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -116.91 93.61 42.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.97 -41.41 12.27 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -58.85 -36.18 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.65 125.26 90.31 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 111.081 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.44 123.9 6.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.23 125.85 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.94 -53.32 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 23' ' ' ARG . 15.1 ttm105 -169.8 139.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.1 ptt-85 -123.39 129.25 51.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.62 158.3 28.39 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -72.93 93.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 110' ' ' TRP . 31.9 tp -86.84 162.0 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 16.6 m-85 -124.15 136.05 53.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -135.83 147.81 48.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' OE1' ' CD1' ' A' ' 81' ' ' ILE . 8.1 pt20 -113.75 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.07 175.71 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 m -115.71 7.34 14.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.7 p -106.35 146.77 30.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.61 -118.79 4.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -85.4 128.15 34.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -80.14 82.7 6.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.7 mt -112.33 167.23 10.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -108.7 164.51 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -145.38 138.93 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 52.4 tttt -79.23 134.27 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -152.69 137.54 17.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 33.4 t-105 -72.99 106.61 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -99.61 168.57 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.3 t -157.59 119.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.31 98.53 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.5 t -143.41 154.94 44.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.95 29.32 7.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 55.89 36.55 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.3 m -140.55 -178.03 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -117.09 130.93 56.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -137.79 139.58 40.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.7 p90 -136.59 160.85 37.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -146.27 151.63 37.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' TYR . 21.4 mtt-85 -34.46 -49.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.56 176.15 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -50.36 -19.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -50.9 -24.15 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 61.5 48.95 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -81.8 -177.17 6.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' ILE . . . -39.31 102.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.506 HG12 ' CE2' ' A' ' 53' ' ' TYR . 79.7 mt -37.37 135.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.23 -26.15 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.478 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 173.64 145.08 4.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.0 p -107.4 149.37 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.5 mt -122.55 125.37 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.21 112.49 19.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.5 mt -71.88 -43.32 10.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.927 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.4 Cg_exo -47.93 -23.78 4.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.2 m -94.35 -27.56 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 9.9 m-85 -79.97 156.83 27.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -120.16 105.02 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.451 ' CG2' HD22 ' A' ' 115' ' ' LEU . 6.1 mm -80.14 119.44 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.52 149.91 33.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.49 140.23 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 13.4 mt -51.2 173.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 77' ' ' SER . 10.4 p -160.67 165.38 30.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 76' ' ' THR . 17.0 t -34.31 -45.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.489 ' OE1' ' N ' ' A' ' 79' ' ' ASP . 1.2 pp20? -39.86 -50.25 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.489 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 1.1 p30 -86.03 102.81 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -82.11 39.52 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.424 ' CD1' ' OE1' ' A' ' 30' ' ' GLN . 84.0 mt -77.46 132.57 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -71.73 -38.9 70.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 4.8 mmm180 -52.56 151.07 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -117.81 -176.79 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.421 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 2.0 m-85 43.61 45.24 5.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.454 ' HB1' ' CB ' ' A' ' 100' ' ' CYS . . . -129.11 171.34 12.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.515 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -140.06 -175.88 4.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 31.5 pttt -144.46 142.24 30.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -114.99 124.88 52.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.91 143.43 28.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 13.7 t-80 -131.18 140.71 39.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.63 0.728 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.6 Cg_endo -73.77 -49.4 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -91.95 7.37 42.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.512 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.0 mtp -144.69 -175.8 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -90.35 -178.88 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.6 m -91.37 123.33 34.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.35 168.47 12.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -139.52 136.76 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -141.63 155.7 45.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.454 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . 15.3 p -148.0 162.68 38.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.2 p -129.97 -178.03 4.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -80.18 -45.79 17.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.5 p -139.16 -176.76 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.89 -38.11 94.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -58.74 -61.46 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -50.09 -19.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.2 ttt -88.37 -45.54 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.63 -39.74 89.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.56 -45.53 90.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.518 ' CD1' HD12 ' A' ' 27' ' ' LEU . 9.8 m95 -68.88 -48.25 63.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 112' ' ' LYS . 17.7 mtp -61.7 -62.82 1.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 111' ' ' MET . 39.8 mmtt -34.44 -44.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.85 -60.19 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 16.9 mtt -41.89 -56.38 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.451 HD22 ' CG2' ' A' ' 72' ' ' ILE . 4.2 mm? -54.72 -41.49 70.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.99 -23.45 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -101.6 -1.89 31.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.93 -40.24 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.541 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -56.51 -15.3 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.4 p -74.65 131.32 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -108.53 57.01 0.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 t -92.04 -0.29 57.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 85.0 p -100.22 159.84 14.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -160.55 96.12 0.14 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.86 100.72 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.733 2.288 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.9 p -62.86 -14.2 43.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 m -116.43 -56.83 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.446 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -105.17 41.96 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -134.6 151.32 50.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.16 152.2 7.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -170.83 135.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.9 p -173.28 143.7 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . 143.81 -72.91 0.35 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -34.75 -44.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 8' ' ' LYS . 29.9 mmt180 -35.47 144.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -111.29 150.5 29.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -102.63 43.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 p -163.31 163.51 25.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mt -121.71 132.39 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -113.79 135.23 54.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -91.52 121.88 33.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.78 113.58 48.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.07 -60.64 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' ALA . 35.2 m-80 -40.85 -50.23 3.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' ASN . . . -36.74 101.79 0.22 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.542 0.687 . . . . 0.0 111.092 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.72 127.29 7.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.4 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -83.33 132.51 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -71.37 -47.94 56.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -172.94 142.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -133.06 119.11 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.92 143.88 10.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -54.91 99.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD11 ' NE1' ' A' ' 110' ' ' TRP . 54.1 tp -96.11 160.35 14.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -111.58 140.69 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HG3' ' CE1' ' A' ' 99' ' ' PHE . 8.5 ttmt -133.29 149.11 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 31.6 tt0 -99.87 157.5 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.47 112.77 20.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.4 t -49.88 -43.76 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.2 p -65.51 159.33 24.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.25 -149.33 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.556 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.7 tpp -67.83 146.42 53.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 11.5 mptt -85.96 79.48 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.3 mt -108.82 165.52 11.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -113.36 130.67 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -109.56 146.69 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -93.99 121.04 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -140.0 157.01 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -80.41 104.86 11.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -104.75 141.98 35.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.9 t -132.78 124.38 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.25 102.93 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -148.58 152.63 37.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 53.85 45.98 26.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.444 ' CA ' ' HB1' ' A' ' 117' ' ' ALA . 80.1 mt 42.01 42.45 2.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 t -152.01 164.4 37.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -104.56 131.91 51.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -137.18 133.53 35.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.548 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 5.1 p90 -134.51 162.08 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -139.19 -175.01 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -64.53 -45.13 88.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.63 -175.05 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -54.28 -31.36 53.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 58' ' ' GLU . 26.8 mttt -54.38 -19.65 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER 30.67 47.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -94.43 36.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.81 110.34 0.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 53' ' ' TYR . 54.2 mt -70.8 131.53 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.68 -30.63 19.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.548 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -174.36 131.07 1.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.4 p -97.38 154.66 17.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.821 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.4 mt -129.67 130.55 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.68 113.72 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.643 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 27.4 mt -74.59 -41.64 4.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.649 0.737 . . . . 0.0 110.975 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.9 Cg_exo -47.97 -24.09 4.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.418 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 8.0 m -94.84 -22.46 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 8.9 m-85 -82.94 156.78 23.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -118.39 108.28 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.448 ' CG2' HD22 ' A' ' 115' ' ' LEU . 4.8 mm -80.12 110.03 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.85 136.18 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.47 140.78 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' C ' ' CG2' ' A' ' 76' ' ' THR . 13.5 mt -53.0 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.438 ' CG2' ' C ' ' A' ' 75' ' ' LEU . 1.0 OUTLIER 74.91 25.3 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.431 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 1.3 t -134.9 71.36 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 66.87 40.77 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 77' ' ' SER . 0.4 OUTLIER -97.53 -34.41 10.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 62.69 27.91 16.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 98' ' ' TYR . 85.3 mt -111.39 144.3 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.432 ' N ' HG22 ' A' ' 81' ' ' ILE . 12.6 m120 -104.27 45.41 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -121.99 156.15 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -122.66 171.27 9.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 54.54 32.98 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 100' ' ' CYS . . . -133.95 175.03 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.079 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -140.32 -175.95 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -150.59 139.9 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.87 125.07 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.44 134.21 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 38.2 t-80 -128.64 139.73 36.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.2 Cg_endo -72.26 -48.47 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -95.62 23.8 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.51 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 32.6 mtm -157.21 -175.59 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -91.5 -178.34 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.2 m -91.96 117.89 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -87.76 156.77 19.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.557 ' CE1' HD11 ' A' ' 81' ' ' ILE . 74.7 m-85 -132.93 144.88 50.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.582 ' CE1' ' HG3' ' A' ' 29' ' ' LYS . 13.7 m-85 -145.65 131.65 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 86' ' ' ALA . 14.0 p -132.91 162.47 31.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.429 ' HB ' ' CB ' ' A' ' 106' ' ' GLU . 35.6 p -132.51 175.54 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -75.56 -43.46 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 73.1 p -132.45 168.21 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.11 -37.12 62.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -58.29 -60.66 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.429 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 7.9 mt-10 -48.46 -22.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 9.5 ttt -85.74 -48.28 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -58.53 -32.84 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.41 -39.7 77.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.454 ' NE1' HD11 ' A' ' 27' ' ' LEU . 17.5 m95 -74.74 -44.52 49.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' LYS . 4.2 mtp -60.98 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' MET . 32.7 mmtp -37.65 -43.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.59 -66.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.427 ' HE3' ' CE3' ' A' ' 110' ' ' TRP . 31.8 mtt -39.79 -56.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 72' ' ' ILE . 4.0 mm? -49.3 -45.94 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -49.47 -42.1 42.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.451 ' O ' ' CG2' ' A' ' 120' ' ' VAL . . . -79.73 -50.53 10.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.72 -52.73 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.57 -26.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 117' ' ' ALA . 46.8 t -58.02 133.11 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.34 52.21 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.4 t -100.05 36.79 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.2 p -73.46 160.04 32.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -57.33 -61.95 6.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 126' ' ' SER . 72.5 Cg_exo -46.78 -24.99 3.35 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 125' ' ' PRO . 59.5 p -34.51 140.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 m -151.86 116.04 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -114.43 41.75 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -122.96 119.55 30.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.01 -160.62 23.66 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -110.92 97.45 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -77.86 100.49 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.44 51.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -153.71 128.18 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.743 0.306 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -46.12 115.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 t -106.94 105.97 16.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -84.45 -51.81 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 m -121.56 168.02 12.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.8 mt -108.68 136.54 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -103.95 129.65 51.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.1 ttp85 -57.77 169.59 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -124.41 101.68 33.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -42.85 -57.05 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.3 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -48.86 -49.14 40.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.48 103.23 0.31 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.698 . . . . 0.0 111.109 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.09 126.24 9.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.9 t -77.94 119.69 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.9 t -65.65 -59.26 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -164.49 148.4 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -135.36 134.12 39.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.5 156.12 27.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.567 ' CE3' ' HE2' ' A' ' 40' ' ' LYS . 88.7 m95 -68.78 90.48 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.832 0.349 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.413 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 17.9 tp -90.62 159.99 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.586 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.0 m-85 -111.0 125.75 54.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -98.1 136.35 38.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 4.2 tt0 -105.12 129.97 53.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.98 141.05 28.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 t -104.33 39.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.53 141.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.09 -49.67 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -163.28 142.29 8.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -88.52 34.66 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.97 158.34 21.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 30' ' ' GLN . 39.0 m95 -104.0 124.33 48.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -95.82 143.36 27.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.586 ' HG2' ' CE1' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -95.09 132.12 40.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 17.1 tpp180 -161.09 155.75 23.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.546 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 36.8 t-105 -76.19 128.11 34.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 16.2 m-85 -121.97 145.93 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.1 t -136.24 134.14 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.91 99.25 9.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -141.71 155.57 45.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.3 OUTLIER 51.45 29.62 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 2.4 mm? 55.99 33.5 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 92.2 m -135.94 -179.27 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -114.06 128.27 56.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.506 ' CE1' ' CB ' ' A' ' 64' ' ' SER . 95.3 m-85 -136.98 139.6 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.476 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 2.5 p90 -134.98 159.13 42.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE2' HD11 ' A' ' 61' ' ' ILE . 13.9 m-85 -137.53 169.47 17.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' N ' HD12 ' A' ' 62' ' ' LEU . 28.8 mmt180 -57.22 -36.69 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.52 178.11 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.4 -14.82 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -60.45 -22.0 62.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.444 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 30.9 mt-10 50.31 51.39 16.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -111.79 121.42 45.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.04 114.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.568 HD11 ' CE2' ' A' ' 53' ' ' TYR . 2.7 mm -67.43 152.33 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 54' ' ' ARG . 5.2 mt -115.5 -17.24 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.476 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 161.39 135.17 1.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.506 ' CB ' ' CE1' ' A' ' 51' ' ' PHE . 95.7 p -111.0 146.98 35.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 0.0 110.823 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.7 mt -119.48 123.44 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.13 110.07 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.8 mt -72.82 -41.77 7.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 66.1 Cg_exo -48.03 -23.79 4.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.412 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 66.3 m -94.52 -21.58 18.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.556 ' CD1' ' HB1' ' A' ' 89' ' ' ALA . 10.0 m-85 -85.0 159.61 20.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -123.52 106.74 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.0 mm -80.15 118.72 28.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.02 137.42 26.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -46.47 141.24 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 14.3 mt -55.01 168.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.6 t -137.27 171.41 14.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -61.0 -48.03 83.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -48.26 -30.96 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.502 ' OD1' ' CE2' ' A' ' 98' ' ' TYR . 13.2 t0 -54.91 -39.85 69.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.4 m170 62.45 25.03 14.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.481 ' CD1' ' OD2' ' A' ' 79' ' ' ASP . 34.5 mt -98.59 112.04 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -79.76 45.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -114.94 138.11 51.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -98.33 162.65 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 48.85 41.92 19.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.43 153.99 44.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -133.13 -177.04 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 5.6 pttp -140.44 143.91 35.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.556 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -117.81 120.21 37.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.21 139.9 30.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 24.8 t-80 -131.91 139.42 35.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.699 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.488 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.08 -50.13 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -89.55 8.64 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.5 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.0 mtp -147.16 -176.7 5.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -89.16 177.87 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -88.11 119.89 28.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.85 169.23 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.502 ' CE2' ' OD1' ' A' ' 79' ' ' ASP . 67.2 m-85 -145.1 129.71 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -129.5 143.63 50.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.472 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 16.0 p -138.84 156.0 47.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.41 ' HB ' ' CB ' ' A' ' 106' ' ' GLU . 9.8 p -124.56 178.37 5.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.94 -45.26 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.8 t -140.06 -175.07 4.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.39 -49.45 77.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -51.29 -56.16 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.735 0.302 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.41 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 9.2 mm-40 -51.57 -21.94 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.7 ttt -89.93 -45.19 9.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.29 -34.87 71.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.27 -33.26 74.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -80.15 -53.85 6.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 112' ' ' LYS . 12.3 mtp -52.49 -64.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 111' ' ' MET . 42.1 mmtt -34.41 -40.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.29 -63.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 30.5 mtt -43.22 -57.89 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -46.78 -34.39 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.72 -33.15 58.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.9 -9.55 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -99.14 -43.48 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.441 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 0.8 OUTLIER -66.94 -24.45 66.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 121' ' ' GLN . 6.0 p -35.91 137.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.451 ' N ' HG22 ' A' ' 120' ' ' VAL . 86.9 mm-40 -103.07 46.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.5 t -91.25 141.39 28.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.8 t -44.88 118.57 1.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -150.49 -96.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.87 128.14 13.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.5 t -91.79 81.17 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.1 m -67.58 119.24 12.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.749 0.229 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.36 127.43 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.182 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.3 -56.49 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -165.02 142.94 6.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' CB ' HG22 ' A' ' 44' ' ' VAL . 6.0 ptt-85 -135.74 127.78 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.525 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -158.15 173.86 35.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.479 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -80.01 102.73 9.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' A' ' 110' ' ' TRP . 34.7 tp -102.39 155.58 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -104.71 122.28 45.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.3 m95 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 130.54 56.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -82.63 122.73 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -148.17 167.02 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.525 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 52.4 t-105 -94.19 112.09 23.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -104.75 161.86 13.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.421 HG22 ' CB ' ' A' ' 24' ' ' ARG . 70.7 t -151.22 135.09 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -105.38 99.37 8.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t -149.83 145.26 26.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t70 63.36 39.42 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.471 ' O ' ' HB1' ' A' ' 117' ' ' ALA . 86.3 mt 47.23 29.97 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.1 m -138.7 176.64 8.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -114.1 134.64 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -142.55 135.6 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -137.97 161.73 35.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -141.28 169.6 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -46.62 -49.85 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -148.48 -175.09 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -52.93 -36.63 59.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -44.59 -29.92 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.431 ' HG2' ' CE1' ' A' ' 53' ' ' TYR . 21.3 mt-10 61.66 31.48 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -76.15 92.88 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.99 135.04 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.474 HG12 ' CE2' ' A' ' 53' ' ' TYR . 85.7 mt -85.89 131.19 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.44 -27.57 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.64 138.52 2.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 p -101.36 153.26 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.518 HG23 ' HE2' ' A' ' 70' ' ' PHE . 49.9 mt -130.26 122.96 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.18 111.14 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 12.7 mt -69.42 -43.31 22.93 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.9 Cg_exo -47.92 -24.78 5.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 25.8 m -92.43 -22.39 19.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 8.5 m-85 -85.18 153.4 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -115.74 108.11 15.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.406 ' HB ' HD11 ' A' ' 115' ' ' LEU . 4.9 mm -80.47 118.47 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.46 143.06 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.09 137.2 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.4 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.896 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.899 0.38 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -137.19 159.48 41.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -127.63 177.01 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HD2' HG21 ' A' ' 96' ' ' THR . 3.3 pttp -137.1 152.37 49.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -122.04 121.98 38.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.26 141.94 27.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 26.7 t-80 -134.87 140.36 34.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.56 -48.73 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -91.31 10.76 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.516 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.6 mtm -148.03 -175.66 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -90.51 -176.91 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.402 HG21 ' HD2' ' A' ' 88' ' ' LYS . 62.3 m -92.49 121.1 33.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.65 172.12 9.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -146.6 129.41 16.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -129.54 133.2 47.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.667 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 1.7 p -135.74 156.85 48.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.426 HG21 ' C ' ' A' ' 106' ' ' GLU . 45.3 p -124.25 -175.75 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.75 -41.09 18.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.7 p -128.35 -175.91 3.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.85 -39.3 65.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.802 ' CD ' HD11 ' A' ' 109' ' ' LEU . 4.7 tmmm? -61.05 -63.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.426 ' C ' HG21 ' A' ' 101' ' ' THR . 5.3 mm-40 -39.28 -27.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' LYS . 1.5 ttt -82.03 -42.27 19.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 105' ' ' LYS . 7.0 pt-20 -62.34 -36.23 81.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.802 HD11 ' CD ' ' A' ' 105' ' ' LYS . 28.5 mt -64.85 -33.98 77.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.492 ' CD1' HD13 ' A' ' 27' ' ' LEU . 18.8 m95 -80.8 -43.23 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.9 mmm -63.44 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 111' ' ' MET . 28.8 mmtp -34.85 -41.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -80.21 -66.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.422 ' HA ' HD13 ' A' ' 67' ' ' LEU . 23.7 mtt -36.85 -56.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 115' ' ' LEU . 3.5 mm? -49.87 -44.63 49.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.632 ' HA ' HD23 ' A' ' 119' ' ' LEU . 1.5 t70 -52.77 -26.01 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -95.52 -38.66 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.2 -53.04 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo . . . . . 0 C--O 1.232 0.2 0 CA-C-O 120.831 0.263 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.15 126.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.2 t -69.94 -60.08 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -160.95 137.73 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -126.62 124.37 39.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.51 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -160.3 165.3 34.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.486 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 87.4 m95 -77.34 95.1 4.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 110' ' ' TRP . 28.1 tp -95.45 144.19 26.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -90.66 132.97 35.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.8 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -100.69 149.23 24.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HE3' ' CG ' ' A' ' 26' ' ' TRP . 22.7 tptt -91.15 118.56 30.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -142.82 155.67 44.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 38.3 t-105 -85.54 113.8 22.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 34.0 m-85 -111.71 143.65 42.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.72 135.13 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -107.51 99.29 8.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 t -142.91 144.37 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t70 58.1 42.75 21.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.3 mt 45.85 44.38 10.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 10.4 t -151.52 162.01 41.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -102.31 134.19 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.428 ' CD1' HD13 ' A' ' 61' ' ' ILE . 76.0 m-85 -143.67 125.22 14.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.481 ' O ' HG23 ' A' ' 61' ' ' ILE . 18.5 p90 -124.41 164.79 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.587 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -140.44 178.55 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.968 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.548 ' HG3' HD21 ' A' ' 62' ' ' LEU . 51.6 mtt180 -57.38 -46.63 83.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.64 -179.94 7.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.12 -17.54 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -56.57 -25.28 51.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 60.13 40.4 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -94.83 98.7 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.14 134.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.587 HG12 ' CE2' ' A' ' 53' ' ' TYR . 99.3 mt -87.28 122.59 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.137 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.548 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -68.77 -35.1 76.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -168.09 141.52 6.87 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.7 p -104.9 150.26 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.556 HG23 ' HE2' ' A' ' 70' ' ' PHE . 48.1 mt -129.71 122.1 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.46 112.1 18.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.9 mt -68.74 -44.01 30.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.1 Cg_exo -48.0 -23.83 4.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t -92.69 -25.74 18.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.556 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.1 m-85 -82.9 162.17 21.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -126.39 109.52 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.424 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.9 mm -80.19 117.76 26.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.83 138.79 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 1.1 mm? -58.19 137.27 57.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.543 ' CD1' ' HA2' ' A' ' 104' ' ' GLY . 22.6 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.874 0.369 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.15 145.27 46.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 1.2 p90 -128.98 -179.56 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -144.58 147.16 32.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.35 128.72 55.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.54 141.79 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 30.1 t-80 -135.82 140.22 32.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.57 0.7 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.36 -48.84 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -90.12 10.24 25.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.475 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 42.7 mtm -148.51 -176.17 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -92.71 -177.17 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.9 m -89.26 126.81 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.53 162.48 13.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -134.36 126.36 29.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.519 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 35.7 m-85 -129.49 136.94 50.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.4 p -136.82 162.63 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.7 p -129.18 176.28 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -79.85 -38.25 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.4 p -135.36 162.6 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.543 ' HA2' ' CD1' ' A' ' 85' ' ' TYR . . . -54.12 -29.62 44.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.548 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -66.46 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.723 0.297 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 105' ' ' LYS . 7.0 mt-10 -43.16 -23.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 105' ' ' LYS . 2.4 ttt -85.87 -45.7 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -56.19 -36.44 68.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.548 HD11 ' CE ' ' A' ' 105' ' ' LYS . 65.0 mt -69.45 -48.81 59.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.709 ' CD1' HD13 ' A' ' 27' ' ' LEU . 13.5 m95 -61.17 -50.61 72.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.2 mmm -57.91 -63.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 111' ' ' MET . 22.4 mmmt -35.92 -42.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.78 -62.8 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.576 ' HA ' HD13 ' A' ' 67' ' ' LEU . 32.4 mtt -41.63 -54.84 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.456 ' HA ' HD13 ' A' ' 115' ' ' LEU . 3.5 mm? -53.04 -38.33 62.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.776 ' HA ' HD23 ' A' ' 119' ' ' LEU . 4.4 t70 -60.73 -29.52 69.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -89.34 -46.74 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.59 86.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.776 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.786 0.244 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -71.7 131.09 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.7 -56.09 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 ttm-85 -166.42 132.62 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.409 ' CB ' HG22 ' A' ' 44' ' ' VAL . 16.6 ptt-85 -122.97 124.61 43.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.85 163.12 33.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -69.22 100.79 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.587 HD13 ' CD1' ' A' ' 110' ' ' TRP . 59.6 tp -103.17 150.7 23.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.489 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 60.6 m-85 -97.97 148.95 22.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.7 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.811 0.338 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -95.91 134.22 39.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 13.9 tttp -77.32 137.05 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.405 ' NH2' ' O ' ' A' ' 54' ' ' ARG . 3.7 tpm_? -158.86 151.95 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -77.11 118.16 19.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 40.9 m-85 -114.17 157.0 23.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 24' ' ' ARG . 54.1 t -148.24 130.97 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.46 103.23 12.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 t -148.9 147.79 29.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t0 57.9 32.8 22.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.2 mt 54.98 33.94 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 t -142.22 152.39 43.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.75 129.74 41.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -131.46 125.01 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 14.3 p90 -125.66 151.7 46.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -133.47 -174.96 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.549 ' HG3' HD21 ' A' ' 62' ' ' LEU . 46.0 mtt180 -65.42 -44.64 86.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -149.26 -177.86 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.36 -12.29 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 58' ' ' GLU . 56.2 mttt -71.42 -15.84 62.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 57' ' ' LYS . 1.1 pp20? 34.56 50.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -89.79 25.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.66 116.08 0.94 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.408 HG12 ' CE2' ' A' ' 53' ' ' TYR . 96.4 mt -67.87 138.97 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.549 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.3 mt -95.01 -24.26 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -178.43 132.05 1.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.2 p -96.02 147.67 23.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.715 HG23 ' HE2' ' A' ' 70' ' ' PHE . 41.0 mt -123.92 124.52 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.1 mm? -83.53 108.98 17.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.8 mt -66.78 -44.13 51.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.58 0.705 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -48.02 -25.43 6.43 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 13.8 m -92.08 -24.82 19.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.715 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.3 m-85 -81.11 163.98 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 90' ' ' ALA . 5.0 tt0 -127.96 108.37 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.456 ' CG2' ' SD ' ' A' ' 111' ' ' MET . 3.3 mm -80.6 108.49 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.39 136.29 29.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mt -49.53 151.19 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.942 0.401 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.77 150.24 52.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 1.8 p90 -132.94 169.75 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 pttm -132.31 138.67 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -107.37 120.96 43.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 71' ' ' GLN . . . -94.94 131.8 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 25.4 t-80 -123.14 140.37 33.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.8 Cg_endo -74.48 -50.39 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -89.45 10.01 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.517 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.8 mtp -147.06 -177.46 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -86.8 -177.56 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -91.08 120.34 31.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -87.97 171.4 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -144.86 140.48 28.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.475 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 49.9 m-85 -138.36 159.83 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 15.0 p -162.5 161.43 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 106' ' ' GLU . 22.7 p -134.04 -178.34 4.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -76.95 -43.24 35.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -134.06 175.7 9.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.52 99.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.696 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -54.66 -64.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.926 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.42 ' O ' HG21 ' A' ' 101' ' ' THR . 7.2 mt-10 -47.52 -20.34 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.413 ' SD ' ' N ' ' A' ' 108' ' ' GLU . 1.1 tmt? -87.35 -48.34 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.413 ' N ' ' SD ' ' A' ' 107' ' ' MET . 5.3 pt-20 -55.76 -39.35 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.696 HD11 ' CE ' ' A' ' 105' ' ' LYS . 25.9 mt -60.18 -47.77 84.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.587 ' CD1' HD13 ' A' ' 27' ' ' LEU . 22.9 m95 -67.27 -46.79 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 87' ' ' PHE . 3.5 mmt -59.79 -62.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 111' ' ' MET . 5.8 mmmm -35.97 -43.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -77.82 -64.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.563 ' HA ' HD13 ' A' ' 67' ' ' LEU . 29.3 mtt -37.22 -53.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.432 ' CD2' HG21 ' A' ' 72' ' ' ILE . 3.8 mm? -53.57 -51.07 64.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.768 ' HA ' HD23 ' A' ' 119' ' ' LEU . 3.1 t70 -49.14 -31.56 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.513 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -86.05 -45.81 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.24 -54.28 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.768 HD23 ' HA ' ' A' ' 116' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.848 0.27 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.6 t -78.39 118.79 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.6 t -70.12 -51.22 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.6 ttt-85 -161.89 130.25 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' CB ' HG22 ' A' ' 44' ' ' VAL . 21.0 ptt180 -129.53 117.42 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.465 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -158.38 154.45 25.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -62.95 97.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.619 HD13 ' CD1' ' A' ' 110' ' ' TRP . 42.2 tp -94.27 162.07 14.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.476 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 33.7 m-85 -110.4 121.59 45.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 27.9 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.809 0.338 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -147.39 140.5 25.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -83.8 130.02 34.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 16.0 tpp180 -155.39 153.41 30.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 40.6 t-105 -84.49 108.44 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 25.4 m-85 -101.97 164.22 11.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' A' ' 24' ' ' ARG . 52.4 t -156.51 128.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.444 HD21 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -99.64 98.5 9.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 p -137.29 156.28 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.0 t70 40.75 49.0 2.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mt 40.66 48.76 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 4.9 t -151.86 169.63 21.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.5 mt -110.29 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 49' ' ' CYS . 81.1 m-85 -137.76 129.78 28.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.535 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 5.5 p90 -126.58 162.04 26.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -147.71 152.16 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HG3' HD21 ' A' ' 62' ' ' LEU . 36.1 mtt180 -38.96 -46.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -143.21 -178.43 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -65.2 -13.99 59.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -63.0 -30.31 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 57.44 44.43 21.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.04 -45.41 92.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.49 ' O ' HD23 ' A' ' 62' ' ' LEU . . . -159.42 118.09 0.81 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 53' ' ' TYR . 68.7 mt -53.56 125.54 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 60' ' ' GLY . 3.5 mt -81.83 -23.68 36.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.535 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 176.39 143.11 4.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 p -105.9 151.14 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.577 HG23 ' HE2' ' A' ' 70' ' ' PHE . 47.9 mt -127.03 122.99 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.49 110.13 16.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.671 HD13 ' HA ' ' A' ' 114' ' ' MET . 16.2 mt -69.85 -42.64 18.74 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.4 Cg_exo -47.97 -25.74 6.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.433 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 59.9 m -92.12 -23.52 19.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.577 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.9 m-85 -82.96 156.19 23.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -119.79 106.06 11.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.422 HG21 ' CD2' ' A' ' 115' ' ' LEU . 5.2 mm -80.26 116.7 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.96 141.64 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.03 133.68 55.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.552 ' CD1' ' HA2' ' A' ' 104' ' ' GLY . 94.8 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.911 0.386 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.01 147.62 34.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.4 p90 -128.86 -177.06 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -143.91 147.21 33.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.29 119.74 34.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.47 145.79 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 34.3 t-80 -139.83 140.05 23.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.579 0.704 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.2 Cg_endo -73.78 -48.87 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -89.81 10.14 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.483 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 45.0 mtm -147.52 -175.12 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.404 HH11 ' CB ' ' A' ' 95' ' ' ARG . 1.1 ptp180 -93.69 178.65 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.3 m -87.13 121.24 29.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -91.55 156.55 17.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -133.96 120.38 20.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -122.61 151.27 41.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 13.9 p -150.75 160.56 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.487 HG21 ' O ' ' A' ' 106' ' ' GLU . 25.6 p -125.49 -177.53 3.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.97 -44.56 20.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.0 p -131.33 162.38 30.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.552 ' HA2' ' CD1' ' A' ' 85' ' ' TYR . . . -50.94 -35.66 32.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.473 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -59.65 -64.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 101' ' ' THR . 8.4 mt-10 -46.26 -21.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -83.5 -45.98 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.24 -34.17 74.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.24 -40.05 82.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.619 ' CD1' HD13 ' A' ' 27' ' ' LEU . 11.7 m95 -76.53 -37.94 55.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 5.2 mtp -65.53 -61.88 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -38.91 -39.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HB1' ' HG ' ' A' ' 45' ' ' LEU . . . -77.06 -63.5 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.671 ' HA ' HD13 ' A' ' 67' ' ' LEU . 26.0 mtt -42.31 -54.23 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 115' ' ' LEU . 3.9 mm? -54.9 -39.55 68.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.01 -26.38 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.1 -2.74 28.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -102.78 -36.62 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.903 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.836 0.265 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.36 130.47 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -74.84 -52.0 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 ttp85 -172.27 131.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HB2' HG22 ' A' ' 44' ' ' VAL . 35.9 ptt180 -122.17 126.4 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.65 157.59 27.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.485 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 83.5 m95 -67.56 86.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.625 HD13 ' NE1' ' A' ' 110' ' ' TRP . 21.1 tp -86.71 156.35 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 40' ' ' LYS . 72.4 m-85 -92.75 140.72 29.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HE3' ' CE2' ' A' ' 97' ' ' TYR . 7.3 tptm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CE3' ' SG ' ' A' ' 100' ' ' CYS . 80.0 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -122.4 137.79 54.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 28' ' ' TYR . 8.3 tptm -88.77 117.41 27.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -137.31 169.53 17.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.485 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 43.3 t-105 -95.23 116.57 28.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -111.67 148.14 34.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.573 HG22 ' HB2' ' A' ' 24' ' ' ARG . 57.0 t -138.6 115.76 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -90.47 100.42 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -148.81 154.21 39.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t70 53.06 45.07 29.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt 41.45 42.24 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.2 m -151.32 173.12 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.5 mt -112.67 137.39 51.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -147.66 122.36 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.4 p90 -121.65 153.87 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.519 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -132.74 174.65 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -55.14 -46.28 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -156.14 -178.08 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -50.68 -23.57 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -55.66 -28.16 53.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 54.85 49.65 17.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -98.61 96.08 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.64 121.74 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.519 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 78.1 mt -71.63 131.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -80.16 -26.72 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.494 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 178.19 130.15 1.37 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.539 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.8 p -95.81 151.93 18.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.602 HG23 ' HE2' ' A' ' 70' ' ' PHE . 45.2 mt -131.24 127.98 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.172 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.55 112.37 22.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 16.4 mt -71.28 -42.62 11.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.625 0.726 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.8 Cg_exo -47.95 -23.69 4.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.5 m -93.23 -27.31 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.602 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.4 m-85 -77.37 168.41 20.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -130.56 108.64 10.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.462 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.5 mm -80.05 114.16 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.47 135.81 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mt -49.99 150.01 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 69.6 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 104' ' ' GLY . 70.5 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.928 0.394 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.9 158.31 33.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.588 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -133.8 -177.67 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 36.1 pttt -144.46 138.64 27.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.14 122.75 48.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.29 145.95 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 22.7 t-80 -135.19 140.52 34.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.44 -49.47 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -91.23 11.73 22.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.522 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 23.9 mtp -148.17 -175.45 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -89.95 -178.69 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.3 m -90.14 118.6 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.42 ' CE2' ' HE3' ' A' ' 29' ' ' LYS . 2.8 m-85 -87.81 163.01 16.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -138.35 129.43 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -129.14 136.68 50.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.592 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 20.3 p -134.59 162.15 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.671 HG21 ' O ' ' A' ' 106' ' ' GLU . 1.5 p -136.28 -175.51 4.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.179 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.3 -42.68 75.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 1.1 t -155.35 174.32 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.556 ' N ' ' CD1' ' A' ' 85' ' ' TYR . . . -44.31 -48.08 8.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.607 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -52.42 -64.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.671 ' O ' HG21 ' A' ' 101' ' ' THR . 5.5 mm-40 -49.75 -18.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.92 -42.56 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 5.0 pt-20 -59.28 -45.09 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.607 HD11 ' CE ' ' A' ' 105' ' ' LYS . 41.1 mt -55.0 -37.04 66.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.625 ' NE1' HD13 ' A' ' 27' ' ' LEU . 28.1 m95 -79.43 -51.55 9.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 112' ' ' LYS . 7.6 mtp -53.88 -65.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 111' ' ' MET . 28.0 mmtt -34.28 -39.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.56 -60.76 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.579 ' HA ' HD13 ' A' ' 67' ' ' LEU . 36.3 mtt -43.78 -51.87 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 119' ' ' LEU . 3.0 mm? -55.38 -37.43 67.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -24.89 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.6 -18.79 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.55 -48.85 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.778 HD22 ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.849 0.27 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.68 123.3 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.31 -49.17 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -171.09 140.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.454 ' CB ' HG22 ' A' ' 44' ' ' VAL . 17.4 ptt180 -130.46 123.06 28.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.93 160.17 29.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -73.72 89.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' CD1' ' A' ' 110' ' ' TRP . 18.1 tp -87.39 153.86 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -100.38 129.3 46.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.9 m95 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -104.11 138.45 40.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -83.05 134.36 35.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -157.78 149.91 22.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.6 t-105 -76.87 105.53 8.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 41.5 m-85 -102.97 140.37 37.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.454 HG22 ' CB ' ' A' ' 24' ' ' ARG . 77.5 t -131.39 137.13 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.57 99.85 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 p -141.82 155.46 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 48' ' ' LEU . 7.4 t70 44.96 54.86 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ASP . 2.4 mm? 35.81 40.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 72.0 m -147.29 178.33 8.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.6 mt -114.15 133.81 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -137.5 127.0 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 19.3 p90 -129.45 159.11 37.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.556 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -140.02 178.62 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.479 ' HG3' HD21 ' A' ' 62' ' ' LEU . 54.6 mtt180 -53.89 -49.47 68.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -153.67 -176.25 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.71 -30.35 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -49.11 -19.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 47.51 50.67 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -104.19 105.0 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.08 123.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.613 HG22 ' H ' ' A' ' 63' ' ' GLY . 91.4 mt -78.34 134.79 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.479 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -86.64 -15.79 38.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.613 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 172.31 137.5 2.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.3 p -104.41 145.7 29.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.916 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.69 HG23 ' HE2' ' A' ' 70' ' ' PHE . 39.9 mt -120.71 125.65 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.12 110.83 19.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.9 mt -68.6 -43.82 31.23 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 110.95 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.8 Cg_exo -47.96 -27.01 8.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 t -90.63 -23.9 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.69 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.4 m-85 -83.04 159.08 22.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -122.72 107.1 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mm -80.06 117.2 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.18 135.11 20.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -52.92 143.41 17.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.906 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.458 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -131.91 165.12 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.484 ' HB3' ' HE1' ' A' ' 111' ' ' MET . 2.3 p90 -142.33 -178.04 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HD2' HG21 ' A' ' 96' ' ' THR . 12.6 pttm -143.3 153.79 43.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.51 122.83 36.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.89 147.2 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 48.5 t-80 -139.36 139.84 23.97 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.598 0.714 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.6 Cg_endo -73.15 -49.25 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -91.41 15.76 11.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.502 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 32.9 mtm -153.51 -175.03 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -92.98 -176.38 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.441 HG21 ' HD2' ' A' ' 88' ' ' LYS . 35.2 m -91.2 124.13 35.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.55 164.41 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -138.24 141.41 39.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -143.18 137.42 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.458 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 3.4 p -137.89 159.12 42.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 106' ' ' GLU . 34.1 p -130.8 179.96 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.68 -42.82 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.7 p -140.01 173.86 11.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.31 -36.17 74.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.541 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.588 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -59.25 -64.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.408 ' O ' HG21 ' A' ' 101' ' ' THR . 6.6 mm-40 -47.76 -19.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.43 -45.2 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.86 -38.66 79.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.588 HD11 ' CE ' ' A' ' 105' ' ' LYS . 34.3 mt -61.91 -35.58 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.606 ' CD1' HD13 ' A' ' 27' ' ' LEU . 19.8 m95 -80.33 -52.41 7.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.484 ' HE1' ' HB3' ' A' ' 87' ' ' PHE . 8.4 mtp -55.9 -65.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' MET . 45.7 mmtm -34.62 -39.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.52 -43.57 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.058 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.528 ' HA ' HD13 ' A' ' 67' ' ' LEU . 26.3 mtt -59.08 -54.42 47.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 115' ' ' LEU . 3.4 mm? -53.56 -33.72 55.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.705 ' HA ' HD23 ' A' ' 119' ' ' LEU . 3.3 t70 -63.44 -36.13 82.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -84.33 -50.77 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.03 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.705 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.1 pp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo . . . . . 0 N--CA 1.465 -0.154 0 CA-C-O 120.82 0.258 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.6 t -98.41 124.25 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.3 -54.19 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.467 HH21 HD22 ' A' ' 109' ' ' LEU . 18.1 tpp180 -166.66 154.94 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.461 ' HB3' HG22 ' A' ' 44' ' ' VAL . 42.4 ptt85 -141.89 114.62 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.78 150.51 22.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.449 ' CG ' ' HE3' ' A' ' 40' ' ' LYS . 91.0 m95 -57.85 96.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.775 HD13 ' CD1' ' A' ' 110' ' ' TRP . 24.2 tp -91.76 153.35 19.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -104.4 113.96 27.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.891 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.4 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.897 0.38 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -109.64 148.54 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.449 ' HE3' ' CG ' ' A' ' 26' ' ' TRP . 28.3 tptt -97.44 120.84 38.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttp-105 -154.88 166.83 32.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -83.53 128.74 34.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 35.2 m-85 -128.83 135.22 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 24' ' ' ARG . 31.3 t -128.62 134.4 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -101.99 99.39 9.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 p -138.13 156.82 47.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.6 t70 43.12 45.24 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mp 43.79 44.14 5.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.8 t -145.77 166.09 26.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.85 126.15 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -128.27 140.33 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 4.5 p90 -136.46 150.04 48.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -136.83 150.64 48.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.839 ' HG3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -33.18 -36.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 0.9 OUTLIER -168.93 177.71 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -44.28 -32.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -41.08 -28.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 30.1 mt-10 60.26 41.81 16.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 60' ' ' GLY . 7.6 mt-10 -75.61 -176.27 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -34.89 103.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 53' ' ' TYR . 56.6 mt -40.5 134.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 111.14 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.839 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.7 mt -84.67 -31.16 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -178.4 147.27 7.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.0 p -107.35 161.55 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.614 HG23 ' HE2' ' A' ' 70' ' ' PHE . 52.1 mt -135.49 123.25 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.07 115.14 21.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 20.6 mt -76.77 -42.04 2.81 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.603 0.716 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -47.96 -24.52 5.32 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.9 p -94.18 -22.17 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.614 ' HE2' HG23 ' A' ' 65' ' ' ILE . 8.3 m-85 -83.15 157.78 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -121.11 106.47 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 mm -80.17 119.04 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.95 134.29 18.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mt -43.56 146.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.488 HD21 ' C ' ' A' ' 87' ' ' PHE . 42.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.902 0.382 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -144.33 161.4 39.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' C ' HD21 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -143.84 -177.83 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.2 pttp -142.51 145.23 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -117.22 117.1 28.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.11 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.79 144.21 25.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 17.2 t-80 -131.89 140.58 38.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.65 -45.65 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -96.9 11.03 37.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.528 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.0 mtp -148.01 -177.8 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -84.39 -175.95 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.478 HG22 ' CE1' ' A' ' 98' ' ' TYR . 98.9 m -99.53 119.75 38.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.413 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 2.8 m-85 -87.82 168.41 12.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.478 ' CE1' HG22 ' A' ' 96' ' ' THR . 28.8 m-85 -145.99 127.45 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -126.86 152.79 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 17.5 p -147.62 159.95 43.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.642 HG21 ' O ' ' A' ' 106' ' ' GLU . 50.8 p -127.39 -175.09 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.38 -44.33 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.0 p -131.06 171.58 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.55 -40.24 77.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.594 ' HE2' HD11 ' A' ' 109' ' ' LEU . 21.1 tptm -55.47 -61.96 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.298 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.642 ' O ' HG21 ' A' ' 101' ' ' THR . 11.5 mm-40 -49.5 -20.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 6.5 ttt -89.31 -38.56 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -69.0 -35.16 76.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.594 HD11 ' HE2' ' A' ' 105' ' ' LYS . 82.3 mt -67.28 -40.6 86.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.775 ' CD1' HD13 ' A' ' 27' ' ' LEU . 20.7 m95 -76.06 -47.83 23.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 112' ' ' LYS . 11.8 mmm -60.06 -62.66 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' MET . 14.6 mmtp -34.8 -42.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.65 -63.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.494 ' HA ' HD13 ' A' ' 67' ' ' LEU . 27.0 mtt -39.06 -55.74 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.65 -38.62 60.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.65 -38.78 73.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.55 -17.03 49.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 114' ' ' MET . . . -90.27 -44.81 9.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.842 0.268 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.9 t -94.11 122.14 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.26 -52.78 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 23' ' ' ARG . 17.7 ttm105 -167.42 140.24 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -130.67 127.3 38.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.41 160.08 31.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.517 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 92.5 m95 -72.96 90.12 1.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.83 0.347 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.633 HD13 ' CD1' ' A' ' 110' ' ' TRP . 35.2 tp -85.9 161.66 18.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 50.0 m-85 -111.33 128.02 55.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.895 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.9 m95 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.816 0.341 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -124.56 146.1 49.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -89.0 125.64 35.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -149.7 157.83 43.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 33.3 t-105 -88.93 106.5 18.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 14.1 m-85 -101.2 151.89 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -144.98 132.25 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.04 101.29 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -139.4 145.68 39.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 49.03 49.18 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.3 mt 40.59 44.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.8 t -148.7 163.2 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.5 mt -101.0 135.94 41.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -142.05 122.29 13.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.485 ' CE2' ' O ' ' A' ' 63' ' ' GLY . 31.7 p90 -124.43 148.07 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -126.68 -178.31 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 ptt85 -76.67 -22.93 53.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -163.95 174.53 11.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.71 -8.03 5.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -69.24 -21.36 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . 28.5 mt-10 48.56 53.42 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -107.23 70.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.67 106.79 2.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 96.0 mt -65.63 130.12 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.27 -30.19 57.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.485 ' O ' ' CE2' ' A' ' 52' ' ' TYR . . . -177.31 137.85 3.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.434 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -102.03 147.83 26.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.666 HG23 ' HE2' ' A' ' 70' ' ' PHE . 48.4 mt -124.87 122.27 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.33 111.0 16.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.6 mt -69.94 -43.04 19.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.6 Cg_exo -47.95 -24.07 4.87 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 62.4 m -93.97 -22.47 18.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.666 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.1 m-85 -83.73 162.36 20.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.53 108.24 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.459 HG21 ' CD2' ' A' ' 115' ' ' LEU . 3.9 mm -80.28 114.41 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.63 135.72 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.47 134.26 50.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.842 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.917 0.389 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 99' ' ' PHE . . . -126.28 169.85 12.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -135.1 -177.79 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -142.38 150.86 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.49 119.27 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.27 141.9 28.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.062 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 24.2 t-80 -134.11 140.33 35.83 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.633 0.73 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.38 -49.25 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -91.18 9.79 29.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.524 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 28.8 mtp -147.7 -176.54 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -89.63 179.95 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.0 m -90.74 121.0 32.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -87.76 163.71 16.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -139.56 127.12 21.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.441 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 9.1 m-85 -129.24 147.7 51.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 86' ' ' ALA . 8.3 p -144.11 162.72 35.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.496 HG21 ' O ' ' A' ' 106' ' ' GLU . 36.5 p -130.34 -177.57 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -42.51 24.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -136.79 175.95 9.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.79 -37.59 90.57 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -58.57 -64.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.496 ' O ' HG21 ' A' ' 101' ' ' THR . 5.2 mm-40 -45.4 -21.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.7 ttt -87.38 -47.81 8.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.11 -28.8 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.474 ' HB3' ' NE ' ' A' ' 23' ' ' ARG . 67.9 mt -74.64 -32.11 62.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.633 ' CD1' HD13 ' A' ' 27' ' ' LEU . 12.4 m95 -82.45 -43.42 17.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.8 mtp -63.75 -61.84 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' MET . 7.3 mmmm -37.52 -41.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.24 -61.4 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.439 ' HA ' HD13 ' A' ' 67' ' ' LEU . 22.9 mtt -43.03 -56.41 3.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.0 mm? -50.9 -39.98 55.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.708 ' HA ' HD23 ' A' ' 119' ' ' LEU . 1.9 t70 -57.9 -33.51 68.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.73 -47.84 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.31 -54.58 41.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.708 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 C--O 1.232 0.208 0 CA-C-O 120.829 0.262 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -98.34 125.74 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.84 -57.29 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -169.53 134.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.696 ' HB3' HG22 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -122.79 132.38 54.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.19 152.12 22.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.406 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 78.9 m95 -61.42 98.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.332 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.751 HD13 ' CD1' ' A' ' 110' ' ' TRP . 22.0 tp -102.14 154.83 18.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -105.35 145.71 30.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.2 m95 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.781 0.324 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -100.15 151.39 21.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -95.91 114.83 26.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mmt-85 -141.7 144.15 33.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.408 ' O ' ' CB ' ' A' ' 52' ' ' TYR . 23.0 t-105 -69.47 131.21 44.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 36.9 m-85 -126.8 137.0 53.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.696 HG22 ' HB3' ' A' ' 24' ' ' ARG . 55.9 t -131.58 129.21 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.05 100.27 11.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.87 153.29 40.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t70 54.47 34.95 22.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 117' ' ' ALA . 2.1 mm? 52.01 37.2 20.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 t -146.44 163.61 35.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -99.03 126.9 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -132.11 125.45 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 29.6 p90 -128.3 158.78 37.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -135.33 -177.75 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.94 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -63.44 -30.68 71.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -165.81 178.72 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -50.78 -30.72 14.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -27.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 27.3 mt-10 56.09 43.69 26.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -103.19 95.72 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.45 113.76 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.422 HG12 ' CE2' ' A' ' 53' ' ' TYR . 96.6 mt -76.49 125.12 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 62' ' ' LEU . 1.1 mt -72.46 -30.9 64.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -179.11 140.08 4.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.427 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.4 p -98.62 152.95 19.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.606 HG23 ' HE2' ' A' ' 70' ' ' PHE . 51.4 mt -130.9 124.46 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.11 115.76 21.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.624 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.1 mt -73.74 -43.34 6.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.5 Cg_exo -47.96 -25.14 5.95 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 p -92.16 -23.84 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.606 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.3 m-85 -84.51 148.52 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -111.2 109.59 19.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.5 mm -80.2 117.17 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.25 137.03 20.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.26 142.58 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.403 HD23 ' HG2' ' A' ' 88' ' ' LYS . 86.2 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.938 0.399 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -132.23 169.7 16.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.1 p90 -141.51 -177.22 5.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.403 ' HG2' HD23 ' A' ' 75' ' ' LEU . 34.9 pttt -145.84 138.69 25.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.488 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -110.77 120.22 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.81 144.77 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 19.8 t-80 -129.79 140.3 38.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.0 Cg_endo -73.37 -46.56 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -95.62 9.79 39.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.524 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.8 mtp -147.82 -179.88 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -82.7 -175.21 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.8 m -96.89 122.65 40.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -88.18 168.24 12.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.7 138.55 32.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -143.5 138.2 29.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 8.3 p -133.74 162.03 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.43 HG21 ' C ' ' A' ' 106' ' ' GLU . 48.5 p -127.3 -175.38 3.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.61 -40.74 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -131.24 170.3 14.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.42 -46.72 79.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.758 ' HD2' HD21 ' A' ' 109' ' ' LEU . 7.8 tppt? -53.23 -64.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.43 ' C ' HG21 ' A' ' 101' ' ' THR . 13.0 mt-10 -40.24 -26.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' LYS . 2.3 ttt -87.24 -40.67 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.6 pt-20 -64.65 -39.47 93.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.758 HD21 ' HD2' ' A' ' 105' ' ' LYS . 31.2 mt -66.03 -39.37 90.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.751 ' CD1' HD13 ' A' ' 27' ' ' LEU . 11.2 m95 -74.33 -41.71 60.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.439 ' HE3' ' HB3' ' A' ' 87' ' ' PHE . 6.0 mtt -66.09 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' MET . 19.8 mmmt -37.23 -41.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -77.03 -63.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.572 ' HA ' HD13 ' A' ' 67' ' ' LEU . 23.1 mtt -38.3 -50.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 115' ' ' LEU . 3.8 mm? -57.5 -37.43 72.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.609 ' HA ' HD23 ' A' ' 119' ' ' LEU . 5.9 t0 -54.17 -43.54 70.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -82.69 -50.5 8.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.64 -47.06 58.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.6 pp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.809 0.254 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -112.05 124.22 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.81 -59.89 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -161.76 142.02 10.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.58 ' HB2' HG22 ' A' ' 44' ' ' VAL . 10.0 ptp180 -132.34 122.88 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.79 168.9 31.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -81.51 99.22 8.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.539 HD13 ' CD1' ' A' ' 110' ' ' TRP . 23.6 tp -99.63 149.14 23.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -94.4 127.16 40.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 tttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 85.5 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -118.61 141.1 48.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -86.21 135.2 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -159.36 142.16 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 26.5 t-105 -72.49 119.89 17.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -115.46 151.89 33.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 24' ' ' ARG . 53.3 t -143.19 132.65 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.55 105.94 16.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -141.84 151.59 42.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 t70 43.51 37.74 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.618 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.8 mm? 52.51 41.68 31.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.583 ' SG ' ' CZ ' ' A' ' 51' ' ' PHE . 46.4 t -142.42 154.45 44.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.3 mt -94.31 130.48 40.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.583 ' CZ ' ' SG ' ' A' ' 49' ' ' CYS . 56.1 m-85 -141.73 131.61 24.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.7 p90 -131.99 164.71 25.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -144.64 160.19 41.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.51 ' HG3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -41.2 -44.53 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -147.42 -175.33 4.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.9 pt-20 -66.14 -12.48 56.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -54.44 -23.96 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.05 53.89 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -121.89 103.27 8.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.05 119.26 0.1 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.471 HG12 ' CE2' ' A' ' 53' ' ' TYR . 80.7 mt -79.97 129.77 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.51 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -81.11 -28.69 35.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -179.41 130.65 1.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -98.54 148.18 24.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.655 HG23 ' HE2' ' A' ' 70' ' ' PHE . 38.9 mt -125.87 123.34 63.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.24 110.6 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.0 mt -70.15 -42.21 16.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.6 Cg_exo -47.94 -25.18 5.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.435 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 10.7 m -92.67 -25.58 18.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.655 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.3 m-85 -79.9 162.13 25.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -123.82 106.98 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.418 HG21 ' CD2' ' A' ' 115' ' ' LEU . 4.8 mm -80.84 115.03 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.42 139.63 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -51.28 135.03 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 50.2 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.888 0.375 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -125.2 164.73 19.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -134.47 175.67 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.436 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.2 pttp -134.89 151.35 50.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.24 119.95 32.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.07 137.76 32.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 13.5 t-80 -125.07 140.75 36.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.532 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.76 -49.18 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -92.04 6.64 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.51 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 26.3 mtp -144.44 -178.93 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -175.0 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.6 m -93.85 120.82 34.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -87.79 169.88 11.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -141.76 139.57 32.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -143.5 138.14 29.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.66 161.78 33.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.436 HG21 ' O ' ' A' ' 106' ' ' GLU . 41.0 p -127.62 -175.13 3.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -87.43 -38.24 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.2 p -139.73 178.62 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.06 -32.78 85.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.52 ' HZ2' HD11 ' A' ' 109' ' ' LEU . 13.3 tptp -65.84 -62.2 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.436 ' O ' HG21 ' A' ' 101' ' ' THR . 5.0 mm-40 -46.36 -20.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.3 ttt -88.02 -41.56 13.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -64.38 -40.67 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.52 HD11 ' HZ2' ' A' ' 105' ' ' LYS . 30.9 mt -62.55 -34.79 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.539 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.9 m95 -79.68 -44.67 20.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' LYS . 8.0 mtp -62.43 -63.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' MET . 15.1 mmtp -36.64 -42.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -78.32 -62.66 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.522 ' HA ' HD13 ' A' ' 67' ' ' LEU . 37.5 mtt -39.78 -56.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 115' ' ' LEU . 4.0 mm? -51.64 -36.22 45.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.771 ' HA ' HD23 ' A' ' 119' ' ' LEU . 3.7 t70 -56.59 -33.6 66.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.474 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -87.32 -48.28 8.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.53 -47.87 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.818 0.257 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.5 t -79.71 124.22 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.7 t -63.43 -51.59 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 109' ' ' LEU . 5.2 ttp-105 -173.68 140.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.547 ' CB ' HG22 ' A' ' 44' ' ' VAL . 8.2 ptt85 -126.6 124.44 39.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.67 158.77 28.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -70.81 97.02 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' CD1' ' A' ' 110' ' ' TRP . 13.6 tp -96.79 141.14 30.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -88.3 141.17 28.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 179.9 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.441 ' C ' ' HE2' ' A' ' 39' ' ' LYS . 44.2 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HE2' ' C ' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -97.98 147.7 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -82.2 136.29 35.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -157.99 147.33 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -81.38 106.87 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 22.0 m-85 -104.85 138.96 40.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.547 HG22 ' CB ' ' A' ' 24' ' ' ARG . 45.9 t -130.39 131.52 65.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -98.27 101.47 12.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -140.77 152.79 45.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 43.6 53.51 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 36.41 49.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 86.7 m -151.74 175.98 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.5 mt -117.4 136.83 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -141.86 135.96 30.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -133.53 146.42 51.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -131.05 168.01 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.777 ' HG3' HD21 ' A' ' 62' ' ' LEU . 89.3 mtt180 -49.28 -46.87 46.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -153.4 -179.78 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -55.2 -16.17 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -58.81 -11.19 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 40.97 51.38 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -112.66 114.08 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.71 113.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.522 HG12 ' CE2' ' A' ' 53' ' ' TYR . 69.2 mt -75.9 130.08 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.777 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -77.91 -24.83 48.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.92 144.34 5.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.9 p -107.16 146.37 31.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.571 HG23 ' HE2' ' A' ' 70' ' ' PHE . 45.1 mt -120.87 124.95 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.85 109.38 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.603 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.7 mt -66.61 -44.26 54.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.586 0.708 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.7 Cg_exo -47.95 -25.04 5.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.429 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 30.5 m -92.51 -21.78 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.571 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.9 m-85 -85.46 164.64 17.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -126.93 107.53 10.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -80.24 112.73 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.28 137.79 22.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -50.11 152.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.8 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.94 147.48 42.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -127.16 -176.17 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -143.45 148.53 36.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.39 119.91 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.54 136.35 33.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 16.7 t-80 -124.37 140.62 35.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -73.95 -48.37 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -93.21 9.31 36.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.523 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.5 mtp -146.52 179.55 7.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 95' ' ' ARG . 3.5 ptm85 -83.0 -175.87 6.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.0 m -94.0 120.87 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -87.79 161.78 17.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -133.94 127.62 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -128.5 140.92 51.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 13.0 p -136.01 162.01 34.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.6 p -133.44 -177.64 4.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.1 -44.71 25.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.8 t -143.68 -175.12 4.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.79 -42.08 97.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.462 ' HE2' HD21 ' A' ' 109' ' ' LEU . 22.1 tptm -53.83 -64.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.303 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -47.59 -23.7 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.8 ttp -85.71 -40.73 15.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.98 -33.36 74.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.462 HD21 ' HE2' ' A' ' 105' ' ' LYS . 71.4 mt -69.7 -32.09 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.606 ' CD1' HD13 ' A' ' 27' ' ' LEU . 17.1 m95 -84.99 -43.67 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' LYS . 3.5 mtt -59.16 -67.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' MET . 1.4 mmpt? -34.31 -45.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.27 -63.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.483 ' HA ' HD13 ' A' ' 67' ' ' LEU . 26.5 mtt -41.69 -54.71 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 115' ' ' LEU . 3.8 mm? -52.95 -38.45 62.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.721 ' HA ' HD23 ' A' ' 119' ' ' LEU . 4.5 t0 -55.43 -42.16 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.61 -52.19 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.24 -50.87 48.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.721 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.6 pp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.864 0.277 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -52.97 128.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -72.96 -50.66 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -173.08 143.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -132.64 131.42 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.59 157.97 29.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.475 ' HB3' ' CE ' ' A' ' 40' ' ' LYS . 87.3 m95 -66.32 101.2 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.755 HD13 ' CD1' ' A' ' 110' ' ' TRP . 30.2 tp -100.41 161.2 13.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.606 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 6.1 m-30 -107.3 121.1 43.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 32.3 m95 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 1.3 mptp? -96.25 119.86 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.606 ' HG2' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -73.26 130.25 39.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -153.17 173.0 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 30.0 t-105 -90.28 129.81 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.526 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 21.0 m-85 -123.63 158.47 31.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -150.23 135.42 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -104.65 98.15 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -138.46 156.25 47.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.02 32.7 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.4 mt 54.71 34.53 21.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 60.1 m -138.82 177.18 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -108.27 135.39 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -144.15 127.09 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 17.6 p90 -128.13 159.85 33.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.583 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -141.75 162.79 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.929 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -41.15 -49.73 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.78 -177.15 5.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.61 -18.42 11.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -59.46 -14.23 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 45.36 50.84 9.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.56 91.2 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.23 128.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 53' ' ' TYR . 94.1 mt -81.78 130.17 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -80.07 -29.05 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.41 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -173.82 141.56 6.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 p -108.75 150.26 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.598 HG23 ' HE2' ' A' ' 70' ' ' PHE . 44.0 mt -129.54 131.26 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.74 111.33 21.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.654 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 32.8 mt -72.81 -41.14 6.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.654 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 63.8 Cg_exo -47.92 -25.93 6.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 25.1 m -93.45 -25.49 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.598 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.3 m-85 -79.65 154.09 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -119.18 110.15 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.451 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.4 mm -80.2 120.17 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.57 135.99 21.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.79 135.04 51.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.445 HD23 ' HG2' ' A' ' 88' ' ' LYS . 84.0 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.925 0.393 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -127.82 162.64 26.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.3 p90 -131.42 -177.17 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HG2' HD23 ' A' ' 75' ' ' LEU . 20.1 pttt -144.89 152.18 39.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.96 122.02 37.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.6 142.41 27.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 16.8 t-80 -132.13 139.62 35.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.731 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.63 -50.08 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -89.61 5.25 46.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.496 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 22.5 mtp -144.12 -176.97 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -88.64 -177.35 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.2 m -92.57 125.22 37.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -91.37 172.46 8.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 88' ' ' LYS . 56.8 m-85 -146.65 138.97 24.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -141.11 148.57 40.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 1.8 p -145.42 159.52 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.602 HG21 ' O ' ' A' ' 106' ' ' GLU . 9.1 p -129.32 178.16 6.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -46.76 58.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.6 p -131.05 179.24 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.64 99.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.542 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' CD ' HD11 ' A' ' 109' ' ' LEU . 3.4 tmmm? -58.01 -61.11 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.602 ' O ' HG21 ' A' ' 101' ' ' THR . 23.6 mt-10 -46.89 -20.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.45 -41.13 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 4.5 pt-20 -61.65 -46.3 90.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 108' ' ' GLU . 15.3 mt -52.36 -38.35 58.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.755 ' CD1' HD13 ' A' ' 27' ' ' LEU . 14.1 m95 -78.13 -48.1 16.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 112' ' ' LYS . 16.3 mtp -58.88 -61.5 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 111' ' ' MET . 26.9 mmtm -38.07 -39.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.18 -61.92 1.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 41.0 mtt -42.9 -57.8 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -46.23 -34.09 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -78.46 -31.68 48.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.415 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -84.89 -15.07 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -93.64 -47.39 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.864 0.277 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.19 130.17 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.0 t -72.23 -50.03 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.431 ' HD2' HD13 ' A' ' 109' ' ' LEU . 16.3 ttp85 -174.94 136.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -124.26 129.33 50.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.39 153.46 24.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.447 ' CD2' ' HE3' ' A' ' 40' ' ' LYS . 96.7 m95 -61.69 100.85 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.62 HD13 ' CD1' ' A' ' 110' ' ' TRP . 24.2 tp -100.47 146.01 27.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -94.9 136.98 34.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.419 ' C ' ' HE3' ' A' ' 39' ' ' LYS . 62.7 m95 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.83 0.347 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -95.91 165.87 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HE3' ' CD2' ' A' ' 26' ' ' TRP . 35.9 tptt -116.96 125.85 52.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 54' ' ' ARG . 1.6 tpm_? -156.79 155.01 30.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.504 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 55.3 t-105 -80.11 123.45 27.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -115.8 164.01 15.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.1 t -152.19 136.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.35 99.27 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 t -142.64 151.14 41.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.08 38.6 24.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.8 mt 49.67 38.82 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 6.3 t -143.39 169.4 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -109.45 132.98 53.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 49' ' ' CYS . 78.8 m-85 -142.1 135.45 29.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE2' ' O ' ' A' ' 63' ' ' GLY . 19.9 p90 -133.64 161.45 34.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -143.93 158.95 43.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.517 ' HG3' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -35.76 -50.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -145.53 176.08 9.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 7.4 pt-20 -52.06 -24.89 7.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -49.29 -23.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.406 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 57.1 mt-10 60.9 40.97 14.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -92.3 101.61 14.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.64 133.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.648 HG22 ' H ' ' A' ' 63' ' ' GLY . 94.6 mt -84.81 131.29 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.517 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -85.44 -12.3 52.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.648 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 167.98 135.53 1.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.4 p -104.62 151.22 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.639 HG23 ' HE2' ' A' ' 70' ' ' PHE . 49.2 mt -130.7 127.73 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.46 110.9 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.672 HD13 ' HA ' ' A' ' 114' ' ' MET . 12.0 mt -69.0 -43.74 26.74 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.3 Cg_exo -47.99 -26.87 8.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.44 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 50.8 m -91.18 -21.21 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.639 ' HE2' HG23 ' A' ' 65' ' ' ILE . 8.8 m-85 -86.59 152.8 22.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -116.81 108.69 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.498 HG21 ' CD2' ' A' ' 115' ' ' LEU . 5.9 mm -80.08 120.05 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.83 133.95 16.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.55 137.89 18.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.414 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 2.0 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.885 0.374 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.48 ' HB2' ' CB ' ' A' ' 100' ' ' CYS . . . -147.97 158.89 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -136.84 178.15 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -133.91 154.1 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.5 122.64 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.03 142.67 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 49.7 t-80 -137.98 140.0 27.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.5 Cg_endo -73.3 -50.28 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -90.4 15.65 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.53 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.8 mtm -152.31 -174.99 5.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.33 -177.52 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.3 m -88.94 126.96 35.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 3.0 m-85 -96.57 171.87 8.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 33.3 m-85 -146.39 133.25 20.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -138.11 141.31 40.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 86' ' ' ALA . 11.5 p -131.81 162.71 29.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.3 p -129.48 177.19 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.63 -39.28 62.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 0.1 OUTLIER -147.88 171.15 16.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 103' ' ' THR . . . -52.53 -34.44 42.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.466 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.577 ' CD ' ' N ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -60.12 -64.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 105' ' ' LYS . 6.3 mt-10 -46.93 -20.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.9 ttt -89.08 -39.81 13.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.86 -38.11 81.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.431 HD13 ' HD2' ' A' ' 23' ' ' ARG . 64.7 mt -67.37 -51.8 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.62 ' CD1' HD13 ' A' ' 27' ' ' LEU . 15.2 m95 -60.99 -48.0 83.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.8 mtt -57.66 -59.42 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -39.65 -41.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -79.98 -66.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.672 ' HA ' HD13 ' A' ' 67' ' ' LEU . 23.2 mtt -36.68 -58.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.498 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.4 mm? -52.38 -41.55 63.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.1 t70 -71.03 -24.8 62.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.412 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -98.81 -2.5 37.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.84 -43.77 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.809 HD22 ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.791 0.246 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.12 123.15 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.33 -56.44 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -167.51 142.34 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' CB ' HG22 ' A' ' 44' ' ' VAL . 16.0 ptt180 -133.07 127.86 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.78 158.03 28.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.577 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 81.8 m95 -70.19 89.45 0.64 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.578 HD13 ' CD1' ' A' ' 110' ' ' TRP . 52.9 tp -88.44 157.66 18.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -101.27 134.3 44.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.894 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.4 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.807 0.336 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -114.58 151.16 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -93.1 138.83 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.7 tpp85 -158.71 152.42 23.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.577 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 21.9 t-105 -78.38 123.24 26.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.426 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 31.6 m-85 -119.34 166.13 13.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.402 HG22 ' CB ' ' A' ' 24' ' ' ARG . 70.7 t -156.16 132.32 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -104.54 97.95 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -135.01 149.68 50.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.2 t0 45.12 45.12 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.512 HD12 ' CA ' ' A' ' 117' ' ' ALA . 3.4 mm? 46.42 46.29 13.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 34.3 t -149.89 158.4 44.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.7 mt -97.74 137.87 35.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -144.93 124.56 13.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 21.2 p90 -127.55 160.6 31.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -139.89 178.71 7.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.946 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.608 ' HG3' HD21 ' A' ' 62' ' ' LEU . 91.7 mtt180 -54.66 -48.87 71.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 10.3 p30 -153.43 -175.54 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -49.48 -32.17 11.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.451 ' CB ' ' HG3' ' A' ' 59' ' ' GLU . 6.2 mmmm -47.46 -25.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 55.47 41.07 31.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' HG3' ' CB ' ' A' ' 57' ' ' LYS . 6.2 mt-10 -91.77 108.22 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.02 133.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 53' ' ' TYR . 61.0 mt -86.57 125.94 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.608 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -76.02 -34.46 59.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.54 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -169.44 140.31 6.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 p -104.86 148.01 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.68 HG23 ' HE2' ' A' ' 70' ' ' PHE . 40.9 mt -126.31 125.26 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.04 110.68 19.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.5 mt -67.64 -43.99 42.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.4 Cg_exo -47.98 -25.4 6.32 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.712 2.275 . . . . 0.0 112.379 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.442 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 61.6 m -92.44 -21.67 20.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.68 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.6 m-85 -85.33 153.77 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -116.51 107.91 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.44 HG21 ' SD ' ' A' ' 111' ' ' MET . 5.0 mm -80.14 111.09 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.52 134.34 25.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.81 135.79 47.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.27 154.8 50.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.9 p90 -131.5 172.6 12.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -134.43 151.91 51.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -121.3 120.15 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.65 137.59 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 43.3 t-80 -129.07 139.84 36.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.565 0.698 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.8 Cg_endo -73.46 -48.71 0.24 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -92.88 17.54 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.512 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 28.3 mtm -154.7 -178.13 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 2.5 ptp180 -87.27 178.67 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 m -88.75 120.56 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -88.93 165.07 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -143.6 131.76 21.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -134.36 144.62 48.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 17.4 p -137.3 162.32 33.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 106' ' ' GLU . 19.4 p -130.85 -178.38 4.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -43.5 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 4.7 t -142.94 -179.8 6.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.435 ' N ' ' OG1' ' A' ' 103' ' ' THR . . . -57.42 -40.79 92.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.903 ' HE2' HD11 ' A' ' 109' ' ' LEU . 2.8 tmtt? -56.76 -64.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.734 0.302 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.507 ' O ' HG21 ' A' ' 101' ' ' THR . 27.2 mt-10 -46.66 -20.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 ttt -88.32 -41.97 12.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -62.06 -35.16 77.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.903 HD11 ' HE2' ' A' ' 105' ' ' LYS . 39.4 mt -64.91 -41.53 95.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.578 ' CD1' HD13 ' A' ' 27' ' ' LEU . 14.5 m95 -75.58 -51.38 13.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.44 ' SD ' HG21 ' A' ' 72' ' ' ILE . 14.4 mmm -57.05 -59.35 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 111' ' ' MET . 27.4 mmtm -37.85 -41.29 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -82.88 -65.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.583 ' HA ' HD13 ' A' ' 67' ' ' LEU . 29.6 mtt -34.33 -56.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.48 -41.55 60.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.79 ' HA ' HD23 ' A' ' 119' ' ' LEU . 7.5 t0 -58.7 -27.33 64.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.512 ' CA ' HD12 ' A' ' 48' ' ' LEU . . . -91.07 -45.18 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 119' ' ' LEU . . . -61.8 -52.35 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.2 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.88 0.283 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.7 125.27 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.49 -48.31 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -174.94 145.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 23' ' ' ARG . 14.5 ptt180 -135.34 128.46 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.11 156.01 27.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.553 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 82.6 m95 -65.97 92.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.756 HD13 ' NE1' ' A' ' 110' ' ' TRP . 27.0 tp -85.03 160.59 19.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -109.0 128.82 55.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 21.0 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -138.6 145.69 40.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -80.74 128.74 33.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -151.91 145.37 24.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.553 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 22.2 t-105 -75.28 135.1 40.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -135.96 150.08 49.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -139.22 126.64 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.5 100.52 12.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -144.55 154.43 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t70 47.03 42.13 12.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.77 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER 45.82 42.55 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.9 m -146.06 169.2 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 50' ' ' LEU . 8.6 mt -107.67 134.02 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -141.34 128.04 20.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 42' ' ' TRP . 21.0 p90 -131.18 156.39 45.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.547 ' CD1' ' HG2' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -131.65 175.48 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HA ' HD11 ' A' ' 62' ' ' LEU . 9.9 ptt180 -60.32 -34.32 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -161.36 -178.34 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.62 -34.35 58.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -48.17 -26.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.547 ' HG2' ' CD1' ' A' ' 53' ' ' TYR . 40.8 mt-10 52.08 45.98 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -101.46 81.82 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.41 114.92 3.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.436 HG12 ' CE2' ' A' ' 53' ' ' TYR . 96.3 mt -76.81 123.95 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -71.85 -30.85 65.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.33 144.52 6.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.442 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 p -104.72 153.44 21.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.686 HG23 ' HE2' ' A' ' 70' ' ' PHE . 47.3 mt -130.34 124.92 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.0 mm? -83.62 107.95 16.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 17.3 mt -68.44 -42.43 27.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 66.3 Cg_exo -48.08 -24.86 5.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 56.3 m -94.56 -21.33 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.686 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.8 m-85 -83.12 162.18 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -127.31 109.37 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.487 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.1 mm -80.09 120.93 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.23 141.45 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.57 136.01 57.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' ' 88' ' ' LYS . 51.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.501 ' CD2' ' HA2' ' A' ' 104' ' ' GLY . 15.3 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.93 0.395 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.42 148.66 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.506 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 3.6 p90 -139.33 166.8 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.49 ' HG2' HD23 ' A' ' 75' ' ' LEU . 18.7 pttt -134.33 152.93 52.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.68 129.3 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.88 142.64 30.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 25.7 t-80 -136.9 140.27 31.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -74.09 -48.86 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -90.91 11.23 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.489 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 44.8 mtm -148.29 -175.72 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -91.82 -177.79 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 m -91.55 122.63 34.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -88.81 173.16 8.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 59.9 m-85 -148.59 131.02 15.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.506 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 12.4 m-85 -136.13 133.91 37.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.79 162.78 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.4 HG21 ' C ' ' A' ' 106' ' ' GLU . 39.1 p -129.13 -175.41 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.92 -26.74 20.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.74 173.96 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.501 ' HA2' ' CD2' ' A' ' 85' ' ' TYR . . . -57.54 -53.2 46.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.75 ' HE2' HD11 ' A' ' 109' ' ' LEU . 6.4 tmtt? -49.54 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.731 0.3 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.4 ' C ' HG21 ' A' ' 101' ' ' THR . 11.1 mt-10 -42.36 -24.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 105' ' ' LYS . 3.1 ttt -90.07 -37.07 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.7 pt-20 -63.23 -35.1 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 105' ' ' LYS . 31.7 mt -66.18 -38.86 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.756 ' NE1' HD13 ' A' ' 27' ' ' LEU . 19.3 m95 -75.27 -51.0 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 112' ' ' LYS . 18.7 mtp -57.13 -64.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 111' ' ' MET . 27.6 mmtt -34.14 -40.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.83 -60.85 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 118' ' ' ALA . 36.9 mtt -44.64 -54.97 5.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 119' ' ' LEU . 4.4 mm? -51.22 -34.14 30.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.55 -31.39 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.453 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -87.94 -9.84 52.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 114' ' ' MET . . . -99.64 -46.74 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.813 0.255 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -81.11 115.78 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.67 -48.22 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -172.15 144.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' CB ' HG22 ' A' ' 44' ' ' VAL . 20.3 ptt180 -139.18 127.94 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.523 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -161.29 161.13 32.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.519 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 96.1 m95 -71.29 96.16 1.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' CD1' ' A' ' 110' ' ' TRP . 36.9 tp -97.72 155.96 16.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 41.1 m-85 -103.44 132.5 49.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 58.2 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -119.19 142.2 48.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 66.8 tttt -87.93 137.61 32.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -161.02 144.16 12.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 23.0 t-105 -70.1 113.25 7.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 26.5 m-85 -109.95 148.08 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.418 HG22 ' CB ' ' A' ' 24' ' ' ARG . 98.1 t -138.43 136.98 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 49' ' ' CYS . 0.6 OUTLIER -106.06 98.02 7.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 p -134.07 154.79 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.6 t0 45.88 34.3 1.87 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.673 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.2 mm? 54.9 38.84 31.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.523 ' O ' HD22 ' A' ' 45' ' ' LEU . 49.5 m -139.71 176.95 8.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.9 mt -112.34 129.86 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -140.48 125.3 18.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 12.0 p90 -124.71 154.25 41.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -134.48 176.21 8.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.957 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.665 ' HG3' HD21 ' A' ' 62' ' ' LEU . 67.6 mtt-85 -58.98 -44.2 91.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -157.06 -176.9 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -52.87 -22.11 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -22.17 12.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 52.46 34.74 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -85.38 98.84 10.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.2 141.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.492 HG13 ' CE2' ' A' ' 53' ' ' TYR . 86.4 mt -91.76 129.55 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.665 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.1 mt -78.29 -24.27 46.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.514 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 178.78 138.52 3.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -105.8 150.1 25.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.813 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.604 HG23 ' HE2' ' A' ' 70' ' ' PHE . 38.5 mt -128.78 126.13 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.07 110.11 18.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 17.3 mt -69.49 -42.49 20.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.544 0.688 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -48.01 -23.95 4.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.445 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 19.5 m -94.02 -24.89 17.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.604 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.7 m-85 -80.21 157.91 26.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 90' ' ' ALA . 7.1 tt0 -119.95 106.5 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.83 119.23 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.09 141.31 21.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -58.28 133.11 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.869 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.922 0.391 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.12 157.74 42.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.8 p90 -133.46 179.1 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.502 ' HD2' HG21 ' A' ' 96' ' ' THR . 11.9 pttm -139.0 154.99 48.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -123.14 127.99 49.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' ' 71' ' ' GLN . . . -99.66 132.89 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 30.1 t-80 -127.18 140.16 37.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.699 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.63 -49.49 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -88.65 9.52 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.447 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.7 mtm -148.68 -178.14 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -87.78 -178.0 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.502 HG21 ' HD2' ' A' ' 88' ' ' LYS . 31.8 m -89.64 121.19 31.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -90.4 165.02 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -139.98 134.82 32.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -135.79 139.09 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 16.3 p -136.59 161.77 34.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 p -129.39 -179.95 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -88.23 -33.26 18.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -134.45 176.34 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.52 -44.64 89.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.731 ' HE2' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -56.36 -61.1 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.746 0.308 . . . . 0.0 110.861 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -43.67 -22.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.6 ttt -89.5 -33.83 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.3 pt-20 -69.54 -42.28 74.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.731 HD11 ' HE2' ' A' ' 105' ' ' LYS . 49.9 mt -62.18 -35.0 77.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.556 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.3 m95 -77.49 -45.63 24.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 112' ' ' LYS . 6.7 mtp -61.55 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 111' ' ' MET . 23.8 mmtp -35.1 -43.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -77.28 -66.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.563 ' HA ' HD13 ' A' ' 67' ' ' LEU . 19.2 mtt -36.55 -56.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 115' ' ' LEU . 4.0 mm? -49.37 -56.54 9.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -48.18 -25.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -96.94 -21.22 17.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.47 -54.62 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.811 HD22 ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.883 0.285 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.89 125.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -68.36 -58.15 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -166.89 133.33 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.562 ' CB ' HG22 ' A' ' 44' ' ' VAL . 6.0 ptt-85 -125.91 122.65 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.52 156.87 27.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.495 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 93.4 m95 -64.68 101.59 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.685 HD13 ' CD1' ' A' ' 110' ' ' TRP . 19.5 tp -105.62 152.45 23.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.508 ' CE1' ' HD3' ' A' ' 40' ' ' LYS . 58.5 m-85 -96.13 135.18 38.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.881 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.5 m95 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -96.46 149.97 21.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.508 ' HD3' ' CE1' ' A' ' 28' ' ' TYR . 5.8 tptm -85.0 121.75 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -136.92 155.14 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.495 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 43.0 t-105 -86.64 122.87 31.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.494 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 43.4 m-85 -119.82 163.96 16.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.562 HG22 ' CB ' ' A' ' 24' ' ' ARG . 78.4 t -153.1 125.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -96.92 98.15 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 t -134.2 156.66 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.4 t0 41.13 39.73 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.61 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.1 mm? 50.67 43.42 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.5 t -145.88 163.52 34.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.5 mt -101.33 134.23 44.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -142.34 130.83 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.2 p90 -130.1 158.18 40.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.579 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -138.38 179.34 6.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.654 ' HG3' HD21 ' A' ' 62' ' ' LEU . 94.5 mtt180 -57.18 -47.27 81.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -154.03 -178.21 6.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -49.13 -33.53 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -30.5 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 60.73 45.93 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -90.96 94.8 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.19 129.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 53' ' ' TYR . 81.4 mt -79.6 129.16 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.654 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.3 mt -80.57 -31.08 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.518 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -173.92 139.16 4.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 p -103.46 155.96 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.492 HG23 ' HE2' ' A' ' 70' ' ' PHE . 65.4 mt -135.63 134.86 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.49 111.2 22.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.3 mt -71.05 -42.09 11.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.5 Cg_exo -47.96 -24.49 5.3 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.378 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.9 m -95.0 -20.96 18.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 6.9 m-85 -84.56 149.3 25.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -110.98 108.95 18.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.9 mm -79.98 110.83 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.39 136.43 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -46.69 139.03 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 88' ' ' LYS . 93.0 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.926 0.394 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 99' ' ' PHE . . . -126.83 162.83 24.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -138.09 -178.99 5.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.475 ' HB3' HD23 ' A' ' 75' ' ' LEU . 30.7 pttt -141.0 149.28 41.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -120.15 118.42 30.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.69 138.5 31.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 25.2 t-80 -123.95 140.34 34.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.5 Cg_endo -74.18 -45.53 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -95.57 12.24 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.51 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 2.9 mpp? -149.05 -175.25 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -86.83 -175.44 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.5 m -94.1 119.93 33.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.95 156.14 18.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -129.26 135.98 49.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.415 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 9.7 m-85 -137.27 151.97 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 14.1 p -145.88 161.13 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 106' ' ' GLU . 12.0 p -129.7 -176.63 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -88.37 -45.27 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.8 p -137.5 -177.9 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.57 -51.37 59.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.512 ' HE3' HD21 ' A' ' 109' ' ' LEU . 32.7 tptt -47.71 -55.0 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.699 0.285 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.524 ' O ' HG21 ' A' ' 101' ' ' THR . 17.3 mm-40 -55.5 -22.58 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.3 ttt -89.07 -37.51 15.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -70.21 -37.97 75.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.512 HD21 ' HE3' ' A' ' 105' ' ' LYS . 86.1 mt -68.11 -36.29 79.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.685 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.5 m95 -80.21 -39.74 28.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 112' ' ' LYS . 1.9 mtt -67.09 -65.16 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 111' ' ' MET . 39.0 mmtt -37.56 -44.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.26 -62.44 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.501 ' HA ' HD13 ' A' ' 67' ' ' LEU . 18.2 mtt -40.22 -54.3 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 115' ' ' LEU . 4.1 mm? -51.4 -58.96 4.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -46.41 -21.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -98.69 -26.63 14.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . -80.74 -50.16 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.773 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.814 0.256 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.23 125.85 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.94 -53.32 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 23' ' ' ARG . 15.1 ttm105 -169.8 139.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.62 ' HB3' HG22 ' A' ' 44' ' ' VAL . 17.1 ptt-85 -123.39 129.25 51.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.62 158.3 28.39 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -72.93 93.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.671 HD13 ' CD1' ' A' ' 110' ' ' TRP . 31.9 tp -86.84 162.0 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 16.6 m-85 -124.15 136.05 53.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 10.6 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -145.38 138.93 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.524 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 52.4 tttt -79.23 134.27 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -152.69 137.54 17.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.415 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 33.4 t-105 -72.99 106.61 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.2 m-85 -99.61 168.57 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.62 HG22 ' HB3' ' A' ' 24' ' ' ARG . 22.3 t -157.59 119.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -89.31 98.53 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.5 t -143.41 154.94 44.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.95 29.32 7.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.542 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.9 mm? 55.89 36.55 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.3 m -140.55 -178.03 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 50' ' ' LEU . 9.7 mt -117.09 130.93 56.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -137.79 139.58 40.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.7 p90 -136.59 160.85 37.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -146.27 151.63 37.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' TYR . 21.4 mtt-85 -34.46 -49.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.56 176.15 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -50.36 -19.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -50.9 -24.15 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 61.5 48.95 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -81.8 -177.17 6.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' ILE . . . -39.31 102.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.525 HG12 ' CE2' ' A' ' 53' ' ' TYR . 79.7 mt -37.37 135.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -84.23 -26.15 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.478 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 173.64 145.08 4.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.0 p -107.4 149.37 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.611 HG23 ' HE2' ' A' ' 70' ' ' PHE . 44.5 mt -122.55 125.37 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.21 112.49 19.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.5 mt -71.88 -43.32 10.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.927 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.4 Cg_exo -47.93 -23.78 4.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.412 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 55.2 m -94.35 -27.56 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.611 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.9 m-85 -79.97 156.83 27.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -120.16 105.02 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.506 HG21 ' CD2' ' A' ' 115' ' ' LEU . 6.1 mm -80.14 119.44 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.52 149.91 33.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.49 140.23 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 13.4 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.421 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 2.0 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' A' ' 99' ' ' PHE . . . -129.11 171.34 12.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.515 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -140.06 -175.88 4.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.423 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 31.5 pttt -144.46 142.24 30.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.99 124.88 52.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.91 143.43 28.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 13.7 t-80 -131.18 140.71 39.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.63 0.728 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.532 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.6 Cg_endo -73.77 -49.4 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -91.95 7.37 42.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.522 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.0 mtp -144.69 -175.8 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -90.35 -178.88 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.6 m -91.37 123.33 34.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.35 168.47 12.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -139.52 136.76 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.551 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 29.5 m-85 -141.63 155.7 45.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 15.3 p -148.0 162.68 38.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.582 HG21 ' O ' ' A' ' 106' ' ' GLU . 20.2 p -129.97 -178.03 4.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -80.18 -45.79 17.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.5 p -139.16 -176.76 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.89 -38.11 94.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -58.74 -61.46 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.582 ' O ' HG21 ' A' ' 101' ' ' THR . 15.2 mt-10 -50.09 -19.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.2 ttt -88.37 -45.54 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.63 -39.74 89.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.56 -45.53 90.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.671 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.8 m95 -68.88 -48.25 63.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 112' ' ' LYS . 17.7 mtp -61.7 -62.82 1.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 111' ' ' MET . 39.8 mmtt -34.44 -44.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.85 -60.19 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.532 ' HA ' HD13 ' A' ' 67' ' ' LEU . 16.9 mtt -41.89 -56.38 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.506 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.2 mm? -54.72 -41.49 70.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.99 -23.45 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.451 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -101.6 -1.89 31.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.93 -40.24 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.827 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.793 0.247 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -83.33 132.51 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -71.37 -47.94 56.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -172.94 142.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' CB ' HG22 ' A' ' 44' ' ' VAL . 27.2 ptt180 -133.06 119.11 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.92 143.88 10.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -54.91 99.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.566 HD13 ' CD1' ' A' ' 110' ' ' TRP . 54.1 tp -96.11 160.35 14.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -111.58 140.69 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HG3' ' CE1' ' A' ' 99' ' ' PHE . 8.5 ttmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 55.0 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.81 0.338 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -109.56 146.69 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -93.99 121.04 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -140.0 157.01 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -80.41 104.86 11.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -104.75 141.98 35.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.46 HG22 ' CB ' ' A' ' 24' ' ' ARG . 65.9 t -132.78 124.38 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -96.25 102.93 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -148.58 152.63 37.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 53.85 45.98 26.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.1 mt 42.01 42.45 2.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 t -152.01 164.4 37.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -104.56 131.91 51.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -137.18 133.53 35.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.548 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 5.1 p90 -134.51 162.08 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -139.19 -175.01 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HG2' HD21 ' A' ' 62' ' ' LEU . 29.8 mmt180 -64.53 -45.13 88.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.63 -175.05 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -54.28 -31.36 53.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 58' ' ' GLU . 26.8 mttt -54.38 -19.65 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.502 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER 30.67 47.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -94.43 36.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.81 110.34 0.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 53' ' ' TYR . 54.2 mt -70.8 131.53 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.576 HD21 ' HG2' ' A' ' 54' ' ' ARG . 1.2 mt -88.68 -30.63 19.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.548 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -174.36 131.07 1.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.4 p -97.38 154.66 17.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.821 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.566 HG23 ' HE2' ' A' ' 70' ' ' PHE . 60.4 mt -129.67 130.55 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.68 113.72 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.643 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 27.4 mt -74.59 -41.64 4.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.649 0.737 . . . . 0.0 110.975 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.9 Cg_exo -47.97 -24.09 4.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.438 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 8.0 m -94.84 -22.46 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 8.9 m-85 -82.94 156.78 23.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -118.39 108.28 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.487 HG21 ' CD2' ' A' ' 115' ' ' LEU . 4.8 mm -80.12 110.03 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.85 136.18 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.47 140.78 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.87 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.906 0.384 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -133.95 175.03 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -140.32 -175.95 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -150.59 139.9 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.87 125.07 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.44 134.21 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 38.2 t-80 -128.64 139.73 36.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.2 Cg_endo -72.26 -48.47 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -95.62 23.8 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.523 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 32.6 mtm -157.21 -175.59 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -91.5 -178.34 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.2 m -91.96 117.89 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -87.76 156.77 19.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -132.93 144.88 50.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CE1' ' HG3' ' A' ' 29' ' ' LYS . 13.7 m-85 -145.65 131.65 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.0 p -132.91 162.47 31.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.549 HG21 ' O ' ' A' ' 106' ' ' GLU . 35.6 p -132.51 175.54 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -75.56 -43.46 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 73.1 p -132.45 168.21 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.11 -37.12 62.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.728 ' HE3' HD21 ' A' ' 109' ' ' LEU . 42.5 tptt -58.29 -60.66 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.549 ' O ' HG21 ' A' ' 101' ' ' THR . 7.9 mt-10 -48.46 -22.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 9.5 ttt -85.74 -48.28 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -58.53 -32.84 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.728 HD21 ' HE3' ' A' ' 105' ' ' LYS . 81.7 mt -69.41 -39.7 77.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.566 ' CD1' HD13 ' A' ' 27' ' ' LEU . 17.5 m95 -74.74 -44.52 49.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' LYS . 4.2 mtp -60.98 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' MET . 32.7 mmtp -37.65 -43.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.59 -66.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.514 ' HA ' HD13 ' A' ' 67' ' ' LEU . 31.8 mtt -39.79 -56.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.487 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.0 mm? -49.3 -45.94 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.551 ' HA ' HD23 ' A' ' 119' ' ' LEU . 13.5 t0 -49.47 -42.1 42.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.73 -50.53 10.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.72 -52.73 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.551 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.796 0.248 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.9 t -77.94 119.69 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.9 t -65.65 -59.26 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -164.49 148.4 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.535 ' HB2' HG22 ' A' ' 44' ' ' VAL . 10.8 ptp180 -135.36 134.12 39.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.5 156.12 27.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.564 ' CE3' ' HE2' ' A' ' 40' ' ' LYS . 88.7 m95 -68.78 90.48 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.832 0.349 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.672 HD13 ' CD1' ' A' ' 110' ' ' TRP . 17.9 tp -90.62 159.99 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.605 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.0 m-85 -111.0 125.75 54.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.889 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.427 ' CE3' ' SG ' ' A' ' 100' ' ' CYS . 39.0 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.872 0.368 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -95.82 143.36 27.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.605 ' HG2' ' CE1' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -95.09 132.12 40.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 17.1 tpp180 -161.09 155.75 23.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.546 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 36.8 t-105 -76.19 128.11 34.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 16.2 m-85 -121.97 145.93 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 24' ' ' ARG . 43.1 t -136.24 134.14 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -100.91 99.25 9.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -141.71 155.57 45.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.3 OUTLIER 51.45 29.62 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.4 mm? 55.99 33.5 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 92.2 m -135.94 -179.27 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -114.06 128.27 56.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.506 ' CE1' ' CB ' ' A' ' 64' ' ' SER . 95.3 m-85 -136.98 139.6 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.476 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 2.5 p90 -134.98 159.13 42.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.678 ' CE2' HD13 ' A' ' 61' ' ' ILE . 13.9 m-85 -137.53 169.47 17.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -57.22 -36.69 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.52 178.11 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.4 -14.82 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -60.45 -22.0 62.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 30.9 mt-10 50.31 51.39 16.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -111.79 121.42 45.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.04 114.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.678 HD13 ' CE2' ' A' ' 53' ' ' TYR . 2.7 mm -67.43 152.33 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 61' ' ' ILE . 5.2 mt -115.5 -17.24 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.476 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 161.39 135.17 1.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.506 ' CB ' ' CE1' ' A' ' 51' ' ' PHE . 95.7 p -111.0 146.98 35.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 0.0 110.823 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.595 HG23 ' HE2' ' A' ' 70' ' ' PHE . 36.7 mt -119.48 123.44 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.13 110.07 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.8 mt -72.82 -41.77 7.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 66.1 Cg_exo -48.03 -23.79 4.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 66.3 m -94.52 -21.58 18.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.595 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.0 m-85 -85.0 159.61 20.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -123.52 106.74 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.0 mm -80.15 118.72 28.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.02 137.42 26.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 74' ' ' LEU . 4.0 mm? -46.47 141.24 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 14.3 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.949 0.404 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.43 153.99 44.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -133.13 -177.04 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 5.6 pttp -140.44 143.91 35.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.81 120.21 37.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.21 139.9 30.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 24.8 t-80 -131.91 139.42 35.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.699 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.495 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.08 -50.13 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -89.55 8.64 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.513 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.0 mtp -147.16 -176.7 5.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -89.16 177.87 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -88.11 119.89 28.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.85 169.23 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -145.1 129.71 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -129.5 143.63 50.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.427 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 16.0 p -138.84 156.0 47.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.608 HG21 ' O ' ' A' ' 106' ' ' GLU . 9.8 p -124.56 178.37 5.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.94 -45.26 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.8 t -140.06 -175.07 4.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.39 -49.45 77.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.554 ' HE3' HD21 ' A' ' 109' ' ' LEU . 24.7 tptt -51.29 -56.16 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.735 0.302 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.608 ' O ' HG21 ' A' ' 101' ' ' THR . 9.2 mm-40 -51.57 -21.94 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.7 ttt -89.93 -45.19 9.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.29 -34.87 71.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.554 HD21 ' HE3' ' A' ' 105' ' ' LYS . 84.4 mt -68.27 -33.26 74.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.672 ' CD1' HD13 ' A' ' 27' ' ' LEU . 16.5 m95 -80.15 -53.85 6.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 112' ' ' LYS . 12.3 mtp -52.49 -64.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 111' ' ' MET . 42.1 mmtt -34.41 -40.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.29 -63.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.44 ' HA ' HD13 ' A' ' 67' ' ' LEU . 30.5 mtt -43.22 -57.89 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -46.78 -34.39 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.72 -33.15 58.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -86.9 -9.55 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -99.14 -43.48 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -128.94 170.22 13.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -148.56 122.1 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.44 -97.83 0.28 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t 58.7 43.04 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 110.81 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -122.33 98.65 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.06 -175.17 13.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.06 93.56 4.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -53.85 -50.51 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 m -84.98 119.81 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -69.96 83.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -100.2 165.6 11.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mt -117.0 141.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -128.22 130.04 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -68.33 149.73 49.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -108.73 93.93 13.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -43.87 -45.68 11.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -55.46 -48.45 74.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.58 102.17 0.26 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 111.077 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.16 106.37 0.08 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.36 127.43 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.182 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.3 -56.49 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -165.02 142.94 6.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' CB ' HG22 ' A' ' 44' ' ' VAL . 6.0 ptt-85 -135.74 127.78 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.525 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -158.15 173.86 35.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.479 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -80.01 102.73 9.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' A' ' 110' ' ' TRP . 34.7 tp -102.39 155.58 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -104.71 122.28 45.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -111.68 149.62 31.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 26.1 tt0 -123.48 141.01 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.48 170.97 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 t -125.7 42.76 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.1 p -125.15 89.71 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.67 -83.19 1.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.7 mmm -109.13 131.03 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.432 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 1.7 mptm? -88.31 82.02 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -107.65 168.86 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -106.35 134.04 50.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 130.54 56.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -82.63 122.73 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -148.17 167.02 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.525 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 52.4 t-105 -94.19 112.09 23.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -104.75 161.86 13.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.421 HG22 ' CB ' ' A' ' 24' ' ' ARG . 70.7 t -151.22 135.09 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -105.38 99.37 8.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t -149.83 145.26 26.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t70 63.36 39.42 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.471 ' O ' ' HB1' ' A' ' 117' ' ' ALA . 86.3 mt 47.23 29.97 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.1 m -138.7 176.64 8.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -114.1 134.64 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -142.55 135.6 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -137.97 161.73 35.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -141.28 169.6 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -46.62 -49.85 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -148.48 -175.09 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -52.93 -36.63 59.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -44.59 -29.92 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' HG2' ' CE1' ' A' ' 53' ' ' TYR . 21.3 mt-10 61.66 31.48 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -76.15 92.88 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.99 135.04 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.474 HG12 ' CE2' ' A' ' 53' ' ' TYR . 85.7 mt -85.89 131.19 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.44 -27.57 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.64 138.52 2.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 p -101.36 153.26 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.518 HG23 ' HE2' ' A' ' 70' ' ' PHE . 49.9 mt -130.26 122.96 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.18 111.14 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 12.7 mt -69.42 -43.31 22.93 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.9 Cg_exo -47.92 -24.78 5.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 25.8 m -92.43 -22.39 19.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 8.5 m-85 -85.18 153.4 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -115.74 108.11 15.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.406 ' HB ' HD11 ' A' ' 115' ' ' LEU . 4.9 mm -80.47 118.47 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.46 143.06 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.09 137.2 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.4 mt -49.34 160.22 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.4 t -126.69 173.06 9.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.4 m -41.83 -50.64 4.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -52.45 -44.43 65.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -92.87 48.65 1.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.515 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -74.62 67.45 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.555 HG22 ' H ' ' A' ' 83' ' ' ARG . 96.5 mt -75.53 133.05 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -47.27 -43.36 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.555 ' H ' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -70.6 92.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -70.24 -178.94 1.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 57.62 44.01 21.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -137.19 159.48 41.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -127.63 177.01 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HD2' HG21 ' A' ' 96' ' ' THR . 3.3 pttp -137.1 152.37 49.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -122.04 121.98 38.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.26 141.94 27.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 26.7 t-80 -134.87 140.36 34.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.56 -48.73 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -91.31 10.76 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.516 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.6 mtm -148.03 -175.66 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -90.51 -176.91 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.402 HG21 ' HD2' ' A' ' 88' ' ' LYS . 62.3 m -92.49 121.1 33.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.65 172.12 9.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -146.6 129.41 16.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -129.54 133.2 47.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.667 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 1.7 p -135.74 156.85 48.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.426 HG21 ' C ' ' A' ' 106' ' ' GLU . 45.3 p -124.25 -175.75 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.75 -41.09 18.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.7 p -128.35 -175.91 3.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.85 -39.3 65.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.802 ' CD ' HD11 ' A' ' 109' ' ' LEU . 4.7 tmmm? -61.05 -63.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.426 ' C ' HG21 ' A' ' 101' ' ' THR . 5.3 mm-40 -39.28 -27.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' LYS . 1.5 ttt -82.03 -42.27 19.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 105' ' ' LYS . 7.0 pt-20 -62.34 -36.23 81.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.802 HD11 ' CD ' ' A' ' 105' ' ' LYS . 28.5 mt -64.85 -33.98 77.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.492 ' CD1' HD13 ' A' ' 27' ' ' LEU . 18.8 m95 -80.8 -43.23 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.9 mmm -63.44 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 111' ' ' MET . 28.8 mmtp -34.85 -41.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -80.21 -66.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.422 ' HA ' HD13 ' A' ' 67' ' ' LEU . 23.7 mtt -36.85 -56.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 115' ' ' LEU . 3.5 mm? -49.87 -44.63 49.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.632 ' HA ' HD23 ' A' ' 119' ' ' LEU . 1.5 t70 -52.77 -26.01 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -95.52 -38.66 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.2 -53.04 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -39.04 -33.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 117' ' ' ALA . 93.7 t -37.35 142.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 119' ' ' LEU . 69.2 mm-40 -107.94 61.87 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 122' ' ' THR . 5.5 t -131.23 121.53 24.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.7 t -163.82 125.96 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.97 145.82 8.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.49 -178.5 4.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.6 p -157.65 156.09 31.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.3 t -74.62 98.81 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -153.31 148.96 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -93.98 171.72 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.5 156.6 10.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -109.59 111.29 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -172.26 151.22 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.1 52.02 1.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -153.35 120.97 5.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 9' ' ' ARG . 2.1 ppt_? -66.47 -24.36 66.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -107.69 96.15 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -87.05 -50.58 6.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.7 p -170.69 177.25 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.476 HD13 HD21 ' A' ' 66' ' ' LEU . 30.2 mt -109.2 135.63 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -134.07 136.7 44.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.805 HH11 HG11 ' A' ' 44' ' ' VAL . 14.5 ttp180 -73.74 106.16 5.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 5.0 t30 -60.57 143.06 90.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.673 0.749 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 16' ' ' ASN . 63.5 Cg_endo -78.7 -48.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -55.91 -32.72 64.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.46 140.84 79.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.538 0.685 . . . . 0.0 111.075 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -79.5 127.21 7.18 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.15 126.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.2 t -69.94 -60.08 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -160.95 137.73 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -126.62 124.37 39.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.51 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -160.3 165.3 34.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.486 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 87.4 m95 -77.34 95.1 4.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 110' ' ' TRP . 28.1 tp -95.45 144.19 26.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -90.66 132.97 35.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -125.02 145.55 49.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.46 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 28.9 tt0 -81.43 124.06 29.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -60.42 173.94 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.0 p -127.74 41.44 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.9 p -148.91 136.86 20.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.02 -109.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -72.8 141.71 48.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.46 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 11.9 mptt -107.33 85.36 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mt -108.43 -178.79 3.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -98.25 116.93 31.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -100.69 149.23 24.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HE3' ' CG ' ' A' ' 26' ' ' TRP . 22.7 tptt -91.15 118.56 30.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -142.82 155.67 44.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 38.3 t-105 -85.54 113.8 22.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 34.0 m-85 -111.71 143.65 42.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.805 HG11 HH11 ' A' ' 15' ' ' ARG . 53.8 t -132.72 135.13 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -107.51 99.29 8.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 t -142.91 144.37 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t70 58.1 42.75 21.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.3 mt 45.85 44.38 10.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 10.4 t -151.52 162.01 41.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -102.31 134.19 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 15' ' ' ARG . 76.0 m-85 -143.67 125.22 14.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.481 ' O ' HG23 ' A' ' 61' ' ' ILE . 18.5 p90 -124.41 164.79 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.587 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -140.44 178.55 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.968 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.548 ' HG3' HD21 ' A' ' 62' ' ' LEU . 51.6 mtt180 -57.38 -46.63 83.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.64 -179.94 7.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.12 -17.54 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -56.57 -25.28 51.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 60.13 40.4 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -94.83 98.7 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.14 134.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.587 HG12 ' CE2' ' A' ' 53' ' ' TYR . 99.3 mt -87.28 122.59 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.137 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.548 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -68.77 -35.1 76.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -168.09 141.52 6.87 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.7 p -104.9 150.26 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.556 HG23 ' HE2' ' A' ' 70' ' ' PHE . 48.1 mt -129.71 122.1 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.476 HD21 HD13 ' A' ' 13' ' ' ILE . 4.2 mm? -81.46 112.1 18.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.9 mt -68.74 -44.01 30.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.1 Cg_exo -48.0 -23.83 4.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t -92.69 -25.74 18.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.556 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.1 m-85 -82.9 162.17 21.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -126.39 109.52 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.424 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.9 mm -80.19 117.76 26.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.83 138.79 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 1.1 mm? -58.19 137.27 57.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.5 mt -49.57 156.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 77' ' ' SER . 9.1 t -123.05 154.31 38.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 76' ' ' THR . 25.9 t -34.96 -48.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' ASP . 9.4 tt0 -41.49 -55.42 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.2 OUTLIER -35.09 132.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -95.82 34.72 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.3 mt -112.63 137.49 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -109.5 42.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.462 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -101.72 179.63 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -127.75 157.41 40.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.543 ' CD1' ' HA2' ' A' ' 104' ' ' GLY . 22.6 m-85 46.68 42.41 11.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.15 145.27 46.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 1.2 p90 -128.98 -179.56 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -144.58 147.16 32.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.35 128.72 55.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.54 141.79 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 30.1 t-80 -135.82 140.22 32.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.57 0.7 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.36 -48.84 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -90.12 10.24 25.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.475 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 42.7 mtm -148.51 -176.17 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -92.71 -177.17 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.9 m -89.26 126.81 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.53 162.48 13.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -134.36 126.36 29.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.519 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 35.7 m-85 -129.49 136.94 50.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.4 p -136.82 162.63 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.7 p -129.18 176.28 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -79.85 -38.25 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.4 p -135.36 162.6 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.543 ' HA2' ' CD1' ' A' ' 85' ' ' TYR . . . -54.12 -29.62 44.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.548 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -66.46 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.723 0.297 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 105' ' ' LYS . 7.0 mt-10 -43.16 -23.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 105' ' ' LYS . 2.4 ttt -85.87 -45.7 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -56.19 -36.44 68.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.548 HD11 ' CE ' ' A' ' 105' ' ' LYS . 65.0 mt -69.45 -48.81 59.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.709 ' CD1' HD13 ' A' ' 27' ' ' LEU . 13.5 m95 -61.17 -50.61 72.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.2 mmm -57.91 -63.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 111' ' ' MET . 22.4 mmmt -35.92 -42.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.78 -62.8 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.576 ' HA ' HD13 ' A' ' 67' ' ' LEU . 32.4 mtt -41.63 -54.84 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.456 ' HA ' HD13 ' A' ' 115' ' ' LEU . 3.5 mm? -53.04 -38.33 62.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.776 ' HA ' HD23 ' A' ' 119' ' ' LEU . 4.4 t70 -60.73 -29.52 69.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -89.34 -46.74 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.59 86.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.776 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -48.6 -27.99 3.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 117' ' ' ALA . 95.0 t -49.32 136.3 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -109.65 79.93 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.7 t -122.88 149.81 43.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.9 m -76.45 139.87 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.807 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.51 -73.43 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.78 23.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.0 t 66.13 37.93 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 92.6 p -76.55 156.57 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 p -110.89 155.88 21.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -93.45 168.74 10.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.798 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -80.93 140.71 21.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 8.1 t -37.1 140.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.856 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -133.43 123.44 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.22 137.15 8.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -88.08 -60.2 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 mtm-85 -74.39 86.69 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -99.5 125.63 45.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -54.41 -50.75 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.3 p -79.82 164.31 23.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.3 mt -112.47 138.09 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 15' ' ' ARG . 10.2 tmtt? -119.52 138.8 52.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 17.3 ttp180 -62.91 146.42 52.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -111.39 93.49 19.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.61 -49.18 9.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -51.29 -49.72 60.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.85 103.4 0.32 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 111.111 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.27 115.7 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -71.7 131.09 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.7 -56.09 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 ttm-85 -166.42 132.62 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' CB ' HG22 ' A' ' 44' ' ' VAL . 16.6 ptt-85 -122.97 124.61 43.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.85 163.12 33.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -69.22 100.79 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.587 HD13 ' CD1' ' A' ' 110' ' ' TRP . 59.6 tp -103.17 150.7 23.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.489 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 60.6 m-85 -97.97 148.95 22.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -149.75 162.2 40.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -87.94 167.59 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -109.02 132.64 53.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 p -54.18 -62.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -96.33 171.94 8.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' MET . . . 57.88 173.16 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -34.2 134.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.97 76.38 7.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 mt -109.64 165.06 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -85.28 107.08 17.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -95.91 134.22 39.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 13.9 tttp -77.32 137.05 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.405 ' NH2' ' O ' ' A' ' 54' ' ' ARG . 3.7 tpm_? -158.86 151.95 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -77.11 118.16 19.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 40.9 m-85 -114.17 157.0 23.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 24' ' ' ARG . 54.1 t -148.24 130.97 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.46 103.23 12.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 t -148.9 147.79 29.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t0 57.9 32.8 22.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.2 mt 54.98 33.94 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 t -142.22 152.39 43.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.75 129.74 41.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -131.46 125.01 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 14.3 p90 -125.66 151.7 46.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -133.47 -174.96 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.549 ' HG3' HD21 ' A' ' 62' ' ' LEU . 46.0 mtt180 -65.42 -44.64 86.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -149.26 -177.86 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.36 -12.29 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 58' ' ' GLU . 56.2 mttt -71.42 -15.84 62.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 57' ' ' LYS . 1.1 pp20? 34.56 50.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -89.79 25.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.66 116.08 0.94 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.408 HG12 ' CE2' ' A' ' 53' ' ' TYR . 96.4 mt -67.87 138.97 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.549 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.3 mt -95.01 -24.26 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -178.43 132.05 1.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.2 p -96.02 147.67 23.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.715 HG23 ' HE2' ' A' ' 70' ' ' PHE . 41.0 mt -123.92 124.52 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.1 mm? -83.53 108.98 17.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.8 mt -66.78 -44.13 51.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.58 0.705 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -48.02 -25.43 6.43 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 13.8 m -92.08 -24.82 19.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.715 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.3 m-85 -81.11 163.98 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 90' ' ' ALA . 5.0 tt0 -127.96 108.37 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.456 ' CG2' ' SD ' ' A' ' 111' ' ' MET . 3.3 mm -80.6 108.49 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.39 136.29 29.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mt -49.53 151.19 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.91 174.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -154.19 169.69 23.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.3 t -42.76 -52.18 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -38.17 -49.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -68.42 108.64 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -81.04 46.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.628 HG22 ' HB2' ' A' ' 83' ' ' ARG . 74.6 mt -98.54 -55.42 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 70.55 25.81 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.628 ' HB2' HG22 ' A' ' 81' ' ' ILE . 9.0 tpt180 -88.75 133.59 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -76.65 161.81 28.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.582 ' CD1' ' HB3' ' A' ' 84' ' ' LYS . 5.2 m-85 34.41 53.09 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.77 150.24 52.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 1.8 p90 -132.94 169.75 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 pttm -132.31 138.67 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -107.37 120.96 43.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 71' ' ' GLN . . . -94.94 131.8 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 25.4 t-80 -123.14 140.37 33.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.8 Cg_endo -74.48 -50.39 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -89.45 10.01 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.517 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.8 mtp -147.06 -177.46 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -86.8 -177.56 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -91.08 120.34 31.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -87.97 171.4 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.569 ' CE2' HD11 ' A' ' 81' ' ' ILE . 75.8 m-85 -144.86 140.48 28.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.475 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 49.9 m-85 -138.36 159.83 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 15.0 p -162.5 161.43 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 106' ' ' GLU . 22.7 p -134.04 -178.34 4.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -76.95 -43.24 35.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -134.06 175.7 9.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.52 99.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.696 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -54.66 -64.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.926 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.42 ' O ' HG21 ' A' ' 101' ' ' THR . 7.2 mt-10 -47.52 -20.34 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.413 ' SD ' ' N ' ' A' ' 108' ' ' GLU . 1.1 tmt? -87.35 -48.34 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.413 ' N ' ' SD ' ' A' ' 107' ' ' MET . 5.3 pt-20 -55.76 -39.35 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.696 HD11 ' CE ' ' A' ' 105' ' ' LYS . 25.9 mt -60.18 -47.77 84.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.587 ' CD1' HD13 ' A' ' 27' ' ' LEU . 22.9 m95 -67.27 -46.79 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 87' ' ' PHE . 3.5 mmt -59.79 -62.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 111' ' ' MET . 5.8 mmmm -35.97 -43.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -77.82 -64.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.563 ' HA ' HD13 ' A' ' 67' ' ' LEU . 29.3 mtt -37.22 -53.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.432 ' CD2' HG21 ' A' ' 72' ' ' ILE . 3.8 mm? -53.57 -51.07 64.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.768 ' HA ' HD23 ' A' ' 119' ' ' LEU . 3.1 t70 -49.14 -31.56 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -86.05 -45.81 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 120' ' ' VAL . . . -59.24 -54.28 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.768 HD23 ' HA ' ' A' ' 116' ' ' ASP . 0.8 OUTLIER -39.78 -26.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 117' ' ' ALA . 69.0 t -48.64 138.32 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -108.58 98.12 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.1 t -157.14 164.6 37.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.2 m 40.31 38.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.24 146.1 17.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.05 -53.4 5.84 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.691 2.26 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.3 t 66.1 36.94 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.9 p -51.67 97.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -130.33 119.18 22.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -45.33 -55.6 5.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.22 145.41 5.05 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -139.09 139.12 37.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -133.78 160.03 38.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.05 -150.68 7.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -118.14 167.43 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -84.75 116.74 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.5 p -104.69 163.3 12.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -99.01 -62.36 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 m -59.47 177.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.422 HD12 ' OG ' ' A' ' 64' ' ' SER . 52.5 mt -118.17 146.71 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.01 129.78 53.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.471 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 51.1 ttt-85 -93.4 108.59 20.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 14.6 t30 -58.49 110.19 2.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.708 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.61 -55.72 3.72 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 19' ' ' ALA . 7.6 m120 -47.01 -41.09 15.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ASN . . . -33.92 142.11 0.22 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.55 0.691 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.09 120.1 4.48 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.626 2.217 . . . . 0.0 112.372 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.6 t -78.39 118.79 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.6 t -70.12 -51.22 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.6 ttt-85 -161.89 130.25 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' CB ' HG22 ' A' ' 44' ' ' VAL . 21.0 ptt180 -129.53 117.42 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.465 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -158.38 154.45 25.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -62.95 97.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.619 HD13 ' CD1' ' A' ' 110' ' ' TRP . 42.2 tp -94.27 162.07 14.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.476 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 33.7 m-85 -110.4 121.59 45.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -108.52 151.5 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.455 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 34.3 tt0 -108.18 160.55 15.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' SER . 2.4 m-20 -133.05 89.24 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ASP . 24.1 m -34.91 -49.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' SER . 46.3 p -37.0 118.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.91 -117.79 7.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 61.7 mtm -92.61 130.53 38.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 7.8 mptt -72.95 82.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -111.31 169.74 8.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -104.25 164.2 11.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -147.39 140.5 25.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -83.8 130.02 34.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 16.0 tpp180 -155.39 153.41 30.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 40.6 t-105 -84.49 108.44 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 25.4 m-85 -101.97 164.22 11.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' A' ' 24' ' ' ARG . 52.4 t -156.51 128.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.444 HD21 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -99.64 98.5 9.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 p -137.29 156.28 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.0 t70 40.75 49.0 2.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mt 40.66 48.76 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 4.9 t -151.86 169.63 21.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.5 mt -110.29 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 49' ' ' CYS . 81.1 m-85 -137.76 129.78 28.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.535 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 5.5 p90 -126.58 162.04 26.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -147.71 152.16 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HG3' HD21 ' A' ' 62' ' ' LEU . 36.1 mtt180 -38.96 -46.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -143.21 -178.43 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -65.2 -13.99 59.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -63.0 -30.31 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 57.44 44.43 21.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.04 -45.41 92.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.49 ' O ' HD23 ' A' ' 62' ' ' LEU . . . -159.42 118.09 0.81 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 53' ' ' TYR . 68.7 mt -53.56 125.54 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 60' ' ' GLY . 3.5 mt -81.83 -23.68 36.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.535 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 176.39 143.11 4.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.422 ' OG ' HD12 ' A' ' 13' ' ' ILE . 15.7 p -105.9 151.14 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.829 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.577 HG23 ' HE2' ' A' ' 70' ' ' PHE . 47.9 mt -127.03 122.99 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.49 110.13 16.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.671 HD13 ' HA ' ' A' ' 114' ' ' MET . 16.2 mt -69.85 -42.64 18.74 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.672 ' HB3' HG13 ' A' ' 120' ' ' VAL . 64.4 Cg_exo -47.97 -25.74 6.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.433 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 59.9 m -92.12 -23.52 19.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.577 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.9 m-85 -82.96 156.19 23.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -119.79 106.06 11.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.422 HG21 ' CD2' ' A' ' 115' ' ' LEU . 5.2 mm -80.26 116.7 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.96 141.64 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.03 133.68 55.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.7 mt -45.77 165.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 77' ' ' SER . 9.4 t -125.24 160.34 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 76' ' ' THR . 55.0 p -35.26 -46.94 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.6 -51.69 15.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.58 85.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -84.12 79.33 9.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.8 mt -104.35 150.89 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -80.62 -44.48 18.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.92 141.42 21.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -102.44 161.78 13.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.552 ' CD1' ' HA2' ' A' ' 104' ' ' GLY . 94.8 m-85 57.38 39.92 27.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.01 147.62 34.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.4 p90 -128.86 -177.06 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -143.91 147.21 33.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.29 119.74 34.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.47 145.79 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 34.3 t-80 -139.83 140.05 23.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.579 0.704 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.2 Cg_endo -73.78 -48.87 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -89.81 10.14 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.483 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 45.0 mtm -147.52 -175.12 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.404 HH11 ' CB ' ' A' ' 95' ' ' ARG . 1.1 ptp180 -93.69 178.65 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.3 m -87.13 121.24 29.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -91.55 156.55 17.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -133.96 120.38 20.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -122.61 151.27 41.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 13.9 p -150.75 160.56 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.487 HG21 ' O ' ' A' ' 106' ' ' GLU . 25.6 p -125.49 -177.53 3.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.97 -44.56 20.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.0 p -131.33 162.38 30.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.552 ' HA2' ' CD1' ' A' ' 85' ' ' TYR . . . -50.94 -35.66 32.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.473 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -59.65 -64.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 101' ' ' THR . 8.4 mt-10 -46.26 -21.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -83.5 -45.98 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.24 -34.17 74.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.24 -40.05 82.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.619 ' CD1' HD13 ' A' ' 27' ' ' LEU . 11.7 m95 -76.53 -37.94 55.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 5.2 mtp -65.53 -61.88 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -38.91 -39.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HB1' ' HG ' ' A' ' 45' ' ' LEU . . . -77.06 -63.5 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.671 ' HA ' HD13 ' A' ' 67' ' ' LEU . 26.0 mtt -42.31 -54.23 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 115' ' ' LEU . 3.9 mm? -54.9 -39.55 68.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.01 -26.38 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.1 -2.74 28.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -102.78 -36.62 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.903 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -66.03 -10.51 40.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.726 ' N ' HD13 ' A' ' 119' ' ' LEU . 4.0 p -82.61 129.58 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -114.26 76.46 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 122' ' ' THR . 7.0 t -122.55 122.26 38.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 94.3 p -67.4 140.12 57.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 68.38 166.84 4.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.11 -177.55 3.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -64.48 -58.81 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.1 p -67.8 154.37 41.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t 39.29 41.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -103.17 172.41 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.86 113.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -144.63 136.46 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -148.53 147.78 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.77 -151.13 7.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.536 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -149.19 176.19 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -56.24 -56.65 18.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -61.18 146.43 47.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -49.8 -54.96 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 m -56.54 170.92 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.01 147.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -107.61 133.25 52.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 16' ' ' ASN . 45.9 ttt-85 -85.45 162.6 18.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 8.7 t30 -122.75 97.32 44.33 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.69 -56.78 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' ALA . 2.2 m-80 -41.8 -51.81 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' ASN . . . -37.81 102.36 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 111.081 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -44.68 127.84 8.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.36 130.47 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -74.84 -52.0 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 ttp85 -172.27 131.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HB2' HG22 ' A' ' 44' ' ' VAL . 35.9 ptt180 -122.17 126.4 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.65 157.59 27.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.485 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 83.5 m95 -67.56 86.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.625 HD13 ' NE1' ' A' ' 110' ' ' TRP . 21.1 tp -86.71 156.35 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 40' ' ' LYS . 72.4 m-85 -92.75 140.72 29.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HE3' ' CE2' ' A' ' 97' ' ' TYR . 7.3 tptm -119.97 130.63 54.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -84.26 143.89 29.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -114.94 139.08 50.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.0 m -75.62 -38.64 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 56.5 p -48.68 141.08 7.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.5 -138.12 6.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.2 mtp -71.04 171.6 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -87.66 70.34 9.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 mt -86.74 159.27 19.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CE3' ' SG ' ' A' ' 100' ' ' CYS . 80.0 m95 -104.68 143.18 33.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -122.4 137.79 54.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 28' ' ' TYR . 8.3 tptm -88.77 117.41 27.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -137.31 169.53 17.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.485 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 43.3 t-105 -95.23 116.57 28.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -111.67 148.14 34.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.573 HG22 ' HB2' ' A' ' 24' ' ' ARG . 57.0 t -138.6 115.76 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -90.47 100.42 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -148.81 154.21 39.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t70 53.06 45.07 29.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt 41.45 42.24 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.2 m -151.32 173.12 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.5 mt -112.67 137.39 51.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -147.66 122.36 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.4 p90 -121.65 153.87 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.519 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -132.74 174.65 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -55.14 -46.28 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -156.14 -178.08 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -50.68 -23.57 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -55.66 -28.16 53.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 54.85 49.65 17.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -98.61 96.08 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.64 121.74 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.519 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 78.1 mt -71.63 131.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -80.16 -26.72 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.494 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 178.19 130.15 1.37 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.539 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.8 p -95.81 151.93 18.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.602 HG23 ' HE2' ' A' ' 70' ' ' PHE . 45.2 mt -131.24 127.98 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.172 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.55 112.37 22.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 16.4 mt -71.28 -42.62 11.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.625 0.726 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.8 Cg_exo -47.95 -23.69 4.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.5 m -93.23 -27.31 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.602 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.4 m-85 -77.37 168.41 20.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -130.56 108.64 10.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.462 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.5 mm -80.05 114.16 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.47 135.81 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mt -49.99 150.01 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 69.6 mt -63.62 169.58 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 77' ' ' SER . 14.4 t -152.71 165.01 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 76' ' ' THR . 1.9 m -37.19 -41.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -45.82 -55.19 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -61.1 119.97 9.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -83.19 42.8 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.541 ' CD1' ' CD2' ' A' ' 98' ' ' TYR . 44.3 mt -110.95 122.37 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -94.91 40.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.409 ' HB2' HG22 ' A' ' 81' ' ' ILE . 18.3 mmt-85 -100.46 174.42 6.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -130.95 155.72 46.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 104' ' ' GLY . 70.5 m-85 55.2 37.36 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.9 158.31 33.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.588 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -133.8 -177.67 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 36.1 pttt -144.46 138.64 27.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.14 122.75 48.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.29 145.95 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 22.7 t-80 -135.19 140.52 34.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.44 -49.47 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -91.23 11.73 22.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.522 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 23.9 mtp -148.17 -175.45 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -89.95 -178.69 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.3 m -90.14 118.6 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.42 ' CE2' ' HE3' ' A' ' 29' ' ' LYS . 2.8 m-85 -87.81 163.01 16.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.541 ' CD2' ' CD1' ' A' ' 81' ' ' ILE . 49.9 m-85 -138.35 129.43 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -129.14 136.68 50.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.592 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 20.3 p -134.59 162.15 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.671 HG21 ' O ' ' A' ' 106' ' ' GLU . 1.5 p -136.28 -175.51 4.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.179 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.3 -42.68 75.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 1.1 t -155.35 174.32 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.556 ' N ' ' CD1' ' A' ' 85' ' ' TYR . . . -44.31 -48.08 8.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.607 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -52.42 -64.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.671 ' O ' HG21 ' A' ' 101' ' ' THR . 5.5 mm-40 -49.75 -18.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.92 -42.56 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 5.0 pt-20 -59.28 -45.09 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.607 HD11 ' CE ' ' A' ' 105' ' ' LYS . 41.1 mt -55.0 -37.04 66.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.625 ' NE1' HD13 ' A' ' 27' ' ' LEU . 28.1 m95 -79.43 -51.55 9.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 112' ' ' LYS . 7.6 mtp -53.88 -65.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 111' ' ' MET . 28.0 mmtt -34.28 -39.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.56 -60.76 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.579 ' HA ' HD13 ' A' ' 67' ' ' LEU . 36.3 mtt -43.78 -51.87 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 119' ' ' LEU . 3.0 mm? -55.38 -37.43 67.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -24.89 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.6 -18.79 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.55 -48.85 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -50.25 -17.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.906 ' N ' HD13 ' A' ' 119' ' ' LEU . 88.8 t -49.51 121.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -100.36 63.41 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 122' ' ' THR . 6.7 t -113.41 127.34 56.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.3 m -142.93 159.14 42.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.21 -146.65 15.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.0 46.3 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.0 t -86.51 95.03 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.1 p -122.15 156.48 33.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -58.65 106.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -153.24 126.16 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.28 152.62 17.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 m -162.68 165.08 26.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.821 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 m -99.82 -57.35 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.95 -80.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.39 142.74 50.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.2 mtt-85 -82.51 103.55 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.3 p -97.98 -44.86 6.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -75.08 164.31 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 m -69.26 176.66 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.615 HD13 HD21 ' A' ' 66' ' ' LEU . 56.4 mt -118.73 137.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -89.32 130.68 35.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -94.39 134.16 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 40.6 t30 -89.77 112.08 49.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.588 0.709 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.92 -63.0 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' ALA . 1.4 m-80 -40.16 -48.69 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 16' ' ' ASN . . . -33.98 102.16 0.21 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.539 0.685 . . . . 0.0 111.067 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.83 122.94 5.54 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 2.271 . . . . 0.0 112.304 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.68 123.3 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.31 -49.17 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -171.09 140.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' CB ' HG22 ' A' ' 44' ' ' VAL . 17.4 ptt180 -130.46 123.06 28.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.93 160.17 29.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -73.72 89.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' CD1' ' A' ' 110' ' ' TRP . 18.1 tp -87.39 153.86 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -100.38 129.3 46.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -122.22 139.7 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -79.55 161.92 25.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.65 141.03 44.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.7 m -78.14 -46.62 20.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.5 p -48.79 133.66 17.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.11 -100.15 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -119.09 162.14 19.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -86.06 49.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.0 mt -82.77 166.63 18.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -96.98 124.21 40.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -104.11 138.45 40.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -83.05 134.36 35.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -157.78 149.91 22.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.6 t-105 -76.87 105.53 8.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 41.5 m-85 -102.97 140.37 37.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG22 ' CB ' ' A' ' 24' ' ' ARG . 77.5 t -131.39 137.13 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.57 99.85 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 p -141.82 155.46 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 48' ' ' LEU . 7.4 t70 44.96 54.86 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ASP . 2.4 mm? 35.81 40.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 72.0 m -147.29 178.33 8.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.6 mt -114.15 133.81 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -137.5 127.0 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 19.3 p90 -129.45 159.11 37.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.556 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -140.02 178.62 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.479 ' HG3' HD21 ' A' ' 62' ' ' LEU . 54.6 mtt180 -53.89 -49.47 68.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -153.67 -176.25 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.71 -30.35 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -49.11 -19.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 47.51 50.67 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -104.19 105.0 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.08 123.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.613 HG22 ' H ' ' A' ' 63' ' ' GLY . 91.4 mt -78.34 134.79 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.479 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -86.64 -15.79 38.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.613 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 172.31 137.5 2.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.3 p -104.41 145.7 29.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.916 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.69 HG23 ' HE2' ' A' ' 70' ' ' PHE . 39.9 mt -120.71 125.65 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.615 HD21 HD13 ' A' ' 13' ' ' ILE . 4.2 mm? -85.12 110.83 19.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.9 mt -68.6 -43.82 31.23 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 110.95 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.8 Cg_exo -47.96 -27.01 8.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 t -90.63 -23.9 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.69 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.4 m-85 -83.04 159.08 22.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -122.72 107.1 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mm -80.06 117.2 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.18 135.11 20.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -52.92 143.41 17.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.4 mt -55.42 176.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.523 HG23 ' HB2' ' A' ' 78' ' ' GLU . 10.1 t -161.74 162.69 29.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 76' ' ' THR . 30.4 t -34.71 -48.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.523 ' HB2' HG23 ' A' ' 76' ' ' THR . 4.6 mm-40 -41.95 -48.9 4.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.5 134.59 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -92.84 29.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.421 HG22 ' HB2' ' A' ' 83' ' ' ARG . 11.9 mt -116.08 116.89 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -86.54 34.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.421 ' HB2' HG22 ' A' ' 81' ' ' ILE . 11.5 mmt180 -99.7 156.3 17.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -117.47 175.56 5.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 49.46 34.28 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.458 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -131.91 165.12 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.484 ' HB3' ' HE1' ' A' ' 111' ' ' MET . 2.3 p90 -142.33 -178.04 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HD2' HG21 ' A' ' 96' ' ' THR . 12.6 pttm -143.3 153.79 43.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.51 122.83 36.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.89 147.2 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 48.5 t-80 -139.36 139.84 23.97 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.598 0.714 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.6 Cg_endo -73.15 -49.25 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -91.41 15.76 11.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.502 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 32.9 mtm -153.51 -175.03 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -92.98 -176.38 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.441 HG21 ' HD2' ' A' ' 88' ' ' LYS . 35.2 m -91.2 124.13 35.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.55 164.41 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -138.24 141.41 39.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -143.18 137.42 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.458 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 3.4 p -137.89 159.12 42.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 106' ' ' GLU . 34.1 p -130.8 179.96 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.68 -42.82 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.7 p -140.01 173.86 11.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.31 -36.17 74.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.541 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.588 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -59.25 -64.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.408 ' O ' HG21 ' A' ' 101' ' ' THR . 6.6 mm-40 -47.76 -19.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.43 -45.2 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.86 -38.66 79.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.588 HD11 ' CE ' ' A' ' 105' ' ' LYS . 34.3 mt -61.91 -35.58 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.606 ' CD1' HD13 ' A' ' 27' ' ' LEU . 19.8 m95 -80.33 -52.41 7.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.484 ' HE1' ' HB3' ' A' ' 87' ' ' PHE . 8.4 mtp -55.9 -65.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' MET . 45.7 mmtm -34.62 -39.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.52 -43.57 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.058 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.528 ' HA ' HD13 ' A' ' 67' ' ' LEU . 26.3 mtt -59.08 -54.42 47.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 115' ' ' LEU . 3.4 mm? -53.56 -33.72 55.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.705 ' HA ' HD23 ' A' ' 119' ' ' LEU . 3.3 t70 -63.44 -36.13 82.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -84.33 -50.77 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.03 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.705 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.1 pp -41.06 -33.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 117' ' ' ALA . 94.9 t -43.34 133.22 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -103.99 58.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 122' ' ' THR . 14.6 t -106.78 39.98 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.15 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.1 t -135.22 171.66 14.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.32 -93.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.24 42.75 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.9 p -41.87 -46.75 4.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.0 t -150.09 140.71 22.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -127.34 177.87 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -155.49 150.6 26.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.01 157.88 8.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -166.82 117.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -62.48 -56.97 13.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.31 118.91 2.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -73.07 114.53 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -81.35 133.22 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.6 m -85.52 -61.24 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -47.62 -59.45 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.6 m -113.07 173.97 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.8 mt -107.82 141.3 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -108.47 129.6 55.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.702 HH11 HD11 ' A' ' 61' ' ' ILE . 10.3 ttp-105 -68.14 146.64 53.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -109.14 141.87 24.36 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.648 0.737 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.58 -51.62 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -51.23 -48.47 62.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.36 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.573 0.701 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.52 143.3 8.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.6 t -98.41 124.25 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.3 -54.19 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.467 HH21 HD22 ' A' ' 109' ' ' LEU . 18.1 tpp180 -166.66 154.94 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.461 ' HB3' HG22 ' A' ' 44' ' ' VAL . 42.4 ptt85 -141.89 114.62 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.78 150.51 22.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.449 ' CG ' ' HE3' ' A' ' 40' ' ' LYS . 91.0 m95 -57.85 96.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.775 HD13 ' CD1' ' A' ' 110' ' ' TRP . 24.2 tp -91.76 153.35 19.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -104.4 113.96 27.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -100.27 153.9 18.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.407 ' CG ' ' HB3' ' A' ' 36' ' ' LYS . 1.9 tp60 -90.93 160.97 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -119.47 117.22 27.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 95' ' ' ARG . 3.5 m -81.61 45.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.0 p -137.49 107.62 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.82 -80.57 1.06 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ttt -126.24 131.6 51.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HB3' ' CG ' ' A' ' 30' ' ' GLN . 44.4 mmtm -70.01 81.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.9 mt -98.46 167.0 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -101.07 127.92 47.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -109.64 148.54 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.449 ' HE3' ' CG ' ' A' ' 26' ' ' TRP . 28.3 tptt -97.44 120.84 38.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttp-105 -154.88 166.83 32.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -83.53 128.74 34.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 35.2 m-85 -128.83 135.22 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 24' ' ' ARG . 31.3 t -128.62 134.4 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -101.99 99.39 9.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 p -138.13 156.82 47.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.6 t70 43.12 45.24 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mp 43.79 44.14 5.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.8 t -145.77 166.09 26.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.85 126.15 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -128.27 140.33 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 4.5 p90 -136.46 150.04 48.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -136.83 150.64 48.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.839 ' HG3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -33.18 -36.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 0.9 OUTLIER -168.93 177.71 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -44.28 -32.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -41.08 -28.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 30.1 mt-10 60.26 41.81 16.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 60' ' ' GLY . 7.6 mt-10 -75.61 -176.27 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -34.89 103.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.702 HD11 HH11 ' A' ' 15' ' ' ARG . 56.6 mt -40.5 134.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 111.14 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.839 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.7 mt -84.67 -31.16 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -178.4 147.27 7.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.0 p -107.35 161.55 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.614 HG23 ' HE2' ' A' ' 70' ' ' PHE . 52.1 mt -135.49 123.25 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.07 115.14 21.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 20.6 mt -76.77 -42.04 2.81 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.603 0.716 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -47.96 -24.52 5.32 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.9 p -94.18 -22.17 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.614 ' HE2' HG23 ' A' ' 65' ' ' ILE . 8.3 m-85 -83.15 157.78 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -121.11 106.47 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 mm -80.17 119.04 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.95 134.29 18.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mt -43.56 146.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.488 HD21 ' C ' ' A' ' 87' ' ' PHE . 42.8 mt -65.16 154.42 38.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.3 p -129.15 -178.98 4.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 m -63.37 -43.73 96.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -51.45 -43.49 62.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -46.16 -27.91 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.3 m170 58.78 25.82 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.598 ' CD1' ' CD2' ' A' ' 98' ' ' TYR . 97.2 mt -100.19 -46.72 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.6 35.83 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' CB ' HG22 ' A' ' 81' ' ' ILE . 9.7 tpt180 -107.71 119.7 40.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -71.55 176.3 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 41.87 41.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -144.33 161.4 39.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' C ' HD21 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -143.84 -177.83 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.2 pttp -142.51 145.23 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -117.22 117.1 28.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.11 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.79 144.21 25.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 17.2 t-80 -131.89 140.58 38.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.65 -45.65 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -96.9 11.03 37.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.528 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.0 mtp -148.01 -177.8 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 32' ' ' SER . 17.1 ptt180 -84.39 -175.95 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.478 HG22 ' CE1' ' A' ' 98' ' ' TYR . 98.9 m -99.53 119.75 38.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.413 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 2.8 m-85 -87.82 168.41 12.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.598 ' CD2' ' CD1' ' A' ' 81' ' ' ILE . 28.8 m-85 -145.99 127.45 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -126.86 152.79 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 17.5 p -147.62 159.95 43.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.642 HG21 ' O ' ' A' ' 106' ' ' GLU . 50.8 p -127.39 -175.09 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.38 -44.33 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.0 p -131.06 171.58 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.55 -40.24 77.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.594 ' HE2' HD11 ' A' ' 109' ' ' LEU . 21.1 tptm -55.47 -61.96 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.298 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.642 ' O ' HG21 ' A' ' 101' ' ' THR . 11.5 mm-40 -49.5 -20.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 6.5 ttt -89.31 -38.56 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -69.0 -35.16 76.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.594 HD11 ' HE2' ' A' ' 105' ' ' LYS . 82.3 mt -67.28 -40.6 86.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.775 ' CD1' HD13 ' A' ' 27' ' ' LEU . 20.7 m95 -76.06 -47.83 23.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 112' ' ' LYS . 11.8 mmm -60.06 -62.66 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' MET . 14.6 mmtp -34.8 -42.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.65 -63.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.494 ' HA ' HD13 ' A' ' 67' ' ' LEU . 27.0 mtt -39.06 -55.74 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.65 -38.62 60.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.65 -38.78 73.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.466 ' O ' HG12 ' A' ' 120' ' ' VAL . . . -81.55 -17.03 49.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 114' ' ' MET . . . -90.27 -44.81 9.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 120' ' ' VAL . 0.6 OUTLIER -70.66 -23.41 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 117' ' ' ALA . 7.2 p -33.47 125.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -96.47 44.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 124' ' ' GLY . 11.4 t -96.85 -10.61 26.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 122' ' ' THR . 29.2 t 34.89 46.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.465 ' H ' HG23 ' A' ' 122' ' ' THR . . . -42.29 -83.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.15 140.58 10.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 85.4 p -93.68 143.98 25.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.0 p -54.98 106.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -126.88 -41.01 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.347 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 45.81 46.81 12.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.6 41.25 1.25 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -61.86 139.19 58.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -115.95 -57.35 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.55 -163.29 26.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -133.64 -53.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 70.21 41.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t -106.56 93.89 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.75 -60.25 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -118.22 172.56 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.7 mt -116.03 135.86 54.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -114.1 130.2 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HD3' HD11 ' A' ' 61' ' ' ILE . 41.9 ttp85 -61.3 163.23 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -126.19 94.12 41.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -43.56 -45.6 10.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.32 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -56.86 -48.11 78.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.8 105.61 0.51 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.76 142.7 7.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.9 t -94.11 122.14 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.26 -52.78 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 23' ' ' ARG . 17.7 ttm105 -167.42 140.24 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -130.67 127.3 38.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.41 160.08 31.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.517 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 92.5 m95 -72.96 90.12 1.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.83 0.347 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.633 HD13 ' CD1' ' A' ' 110' ' ' TRP . 35.2 tp -85.9 161.66 18.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 50.0 m-85 -111.33 128.02 55.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -109.76 150.67 28.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -83.66 147.27 27.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -137.51 -176.86 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' THR . 7.7 t -108.05 -71.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 32' ' ' SER . 72.0 p 33.83 36.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' SER . . . 85.45 -37.73 3.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.511 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' SER . 57.3 mtp -124.89 139.01 54.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 81.38 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mt -111.65 170.04 8.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -103.29 151.79 22.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -124.56 146.1 49.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -89.0 125.64 35.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -149.7 157.83 43.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 33.3 t-105 -88.93 106.5 18.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 14.1 m-85 -101.2 151.89 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -144.98 132.25 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.04 101.29 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -139.4 145.68 39.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 49.03 49.18 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.3 mt 40.59 44.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.8 t -148.7 163.2 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.5 mt -101.0 135.94 41.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -142.05 122.29 13.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.485 ' CE2' ' O ' ' A' ' 63' ' ' GLY . 31.7 p90 -124.43 148.07 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -126.68 -178.31 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 ptt85 -76.67 -22.93 53.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -163.95 174.53 11.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.71 -8.03 5.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -69.24 -21.36 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . 28.5 mt-10 48.56 53.42 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -107.23 70.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.67 106.79 2.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 96.0 mt -65.63 130.12 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.27 -30.19 57.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.485 ' O ' ' CE2' ' A' ' 52' ' ' TYR . . . -177.31 137.85 3.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.434 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -102.03 147.83 26.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.666 HG23 ' HE2' ' A' ' 70' ' ' PHE . 48.4 mt -124.87 122.27 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.33 111.0 16.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.6 mt -69.94 -43.04 19.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.6 Cg_exo -47.95 -24.07 4.87 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 62.4 m -93.97 -22.47 18.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.666 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.1 m-85 -83.73 162.36 20.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.53 108.24 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.459 HG21 ' CD2' ' A' ' 115' ' ' LEU . 3.9 mm -80.28 114.41 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.63 135.72 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.47 134.26 50.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 mt -41.65 164.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 78' ' ' GLU . 74.1 p -154.29 164.97 37.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 76' ' ' THR . 83.8 p -34.21 -35.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' THR . 30.3 mt-10 -49.62 -52.1 32.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 76' ' ' THR . 1.0 OUTLIER -81.7 116.43 21.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -94.51 40.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.672 HD11 ' CD2' ' A' ' 98' ' ' TYR . 83.0 mt -77.43 146.7 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -82.77 -37.14 24.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' H ' HG22 ' A' ' 81' ' ' ILE . 17.7 mmt180 -62.23 147.41 48.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -116.35 -178.08 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 51.05 37.82 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 99' ' ' PHE . . . -126.28 169.85 12.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -135.1 -177.79 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -142.38 150.86 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.49 119.27 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.27 141.9 28.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.062 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 24.2 t-80 -134.11 140.33 35.83 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.633 0.73 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.38 -49.25 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -91.18 9.79 29.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.524 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 28.8 mtp -147.7 -176.54 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -89.63 179.95 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.0 m -90.74 121.0 32.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -87.76 163.71 16.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.672 ' CD2' HD11 ' A' ' 81' ' ' ILE . 24.8 m-85 -139.56 127.12 21.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.441 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 9.1 m-85 -129.24 147.7 51.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 86' ' ' ALA . 8.3 p -144.11 162.72 35.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.496 HG21 ' O ' ' A' ' 106' ' ' GLU . 36.5 p -130.34 -177.57 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -42.51 24.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -136.79 175.95 9.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.79 -37.59 90.57 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -58.57 -64.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.496 ' O ' HG21 ' A' ' 101' ' ' THR . 5.2 mm-40 -45.4 -21.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.7 ttt -87.38 -47.81 8.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.11 -28.8 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.474 ' HB3' ' NE ' ' A' ' 23' ' ' ARG . 67.9 mt -74.64 -32.11 62.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.633 ' CD1' HD13 ' A' ' 27' ' ' LEU . 12.4 m95 -82.45 -43.42 17.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.8 mtp -63.75 -61.84 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' MET . 7.3 mmmm -37.52 -41.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.24 -61.4 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.439 ' HA ' HD13 ' A' ' 67' ' ' LEU . 22.9 mtt -43.03 -56.41 3.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.0 mm? -50.9 -39.98 55.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.708 ' HA ' HD23 ' A' ' 119' ' ' LEU . 1.9 t70 -57.9 -33.51 68.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -85.73 -47.84 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 120' ' ' VAL . . . -55.31 -54.58 41.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.708 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -40.14 -27.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 117' ' ' ALA . 98.2 t -55.94 132.43 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -110.59 47.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.425 ' H ' HG12 ' A' ' 120' ' ' VAL . 14.2 t -86.56 28.21 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 66.6 m -75.89 144.88 40.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -105.0 -81.21 1.45 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.27 88.97 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.9 t -128.92 169.67 14.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 83.2 p -108.56 149.36 28.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -81.0 165.6 21.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -113.11 170.4 8.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.26 79.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -117.26 163.67 15.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.365 . . . . 0.0 110.855 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -87.45 138.44 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.12 -174.09 21.22 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.08 141.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.332 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -120.44 97.61 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' ASN . 7.7 m -127.6 119.71 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' SER . 26.9 m120 -38.4 -61.84 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -87.75 178.44 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.417 ' CD1' HD21 ' A' ' 66' ' ' LEU . 16.3 mt -124.83 138.32 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -102.39 136.39 42.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 ttt85 -85.46 122.74 30.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -81.42 113.49 42.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.85 -55.66 3.44 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.388 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ALA . 2.5 m-80 -45.98 -50.56 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASN . . . -34.68 101.75 0.21 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.52 142.53 6.74 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -98.34 125.74 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.84 -57.29 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -169.53 134.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.696 ' HB3' HG22 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -122.79 132.38 54.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.19 152.12 22.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.406 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 78.9 m95 -61.42 98.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.332 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.751 HD13 ' CD1' ' A' ' 110' ' ' TRP . 22.0 tp -102.14 154.83 18.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -105.35 145.71 30.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -129.45 157.36 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -98.42 136.58 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -111.45 160.31 17.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -103.64 -64.69 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -45.64 -34.56 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.6 -139.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.7 mtm -115.68 38.28 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp 54.51 41.16 32.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -108.85 -179.44 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -107.38 125.12 50.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -100.15 151.39 21.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -95.91 114.83 26.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mmt-85 -141.7 144.15 33.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.408 ' O ' ' CB ' ' A' ' 52' ' ' TYR . 23.0 t-105 -69.47 131.21 44.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 36.9 m-85 -126.8 137.0 53.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.696 HG22 ' HB3' ' A' ' 24' ' ' ARG . 55.9 t -131.58 129.21 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.05 100.27 11.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.87 153.29 40.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t70 54.47 34.95 22.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 117' ' ' ALA . 2.1 mm? 52.01 37.2 20.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 t -146.44 163.61 35.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -99.03 126.9 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -132.11 125.45 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 29.6 p90 -128.3 158.78 37.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -135.33 -177.75 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.94 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -63.44 -30.68 71.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -165.81 178.72 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -50.78 -30.72 14.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -27.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 27.3 mt-10 56.09 43.69 26.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -103.19 95.72 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.45 113.76 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.422 HG12 ' CE2' ' A' ' 53' ' ' TYR . 96.6 mt -76.49 125.12 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 62' ' ' LEU . 1.1 mt -72.46 -30.9 64.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -179.11 140.08 4.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.427 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.4 p -98.62 152.95 19.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.606 HG23 ' HE2' ' A' ' 70' ' ' PHE . 51.4 mt -130.9 124.46 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.2 mm? -82.11 115.76 21.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.624 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.1 mt -73.74 -43.34 6.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.5 Cg_exo -47.96 -25.14 5.95 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 p -92.16 -23.84 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.606 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.3 m-85 -84.51 148.52 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -111.2 109.59 19.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.5 mm -80.2 117.17 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.25 137.03 20.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.26 142.58 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.403 HD23 ' HG2' ' A' ' 88' ' ' LYS . 86.2 mt -55.13 161.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.6 t -126.19 165.42 18.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.8 p -47.4 -36.85 10.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' ASP . 5.3 mm-40 -61.4 -33.97 74.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 78' ' ' GLU . 1.5 p-10 -35.44 -47.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.404 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 13.9 m170 61.62 29.92 18.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 85.2 mt -109.36 130.72 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -87.72 41.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -133.17 103.21 5.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -80.34 176.47 9.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 58.67 34.41 23.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -132.23 169.7 16.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.1 p90 -141.51 -177.22 5.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.403 ' HG2' HD23 ' A' ' 75' ' ' LEU . 34.9 pttt -145.84 138.69 25.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.488 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -110.77 120.22 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.81 144.77 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 19.8 t-80 -129.79 140.3 38.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.0 Cg_endo -73.37 -46.56 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -95.62 9.79 39.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.524 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.8 mtp -147.82 -179.88 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -82.7 -175.21 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.8 m -96.89 122.65 40.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -88.18 168.24 12.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.7 138.55 32.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -143.5 138.2 29.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 8.3 p -133.74 162.03 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.43 HG21 ' C ' ' A' ' 106' ' ' GLU . 48.5 p -127.3 -175.38 3.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.61 -40.74 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -131.24 170.3 14.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.42 -46.72 79.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.758 ' HD2' HD21 ' A' ' 109' ' ' LEU . 7.8 tppt? -53.23 -64.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.43 ' C ' HG21 ' A' ' 101' ' ' THR . 13.0 mt-10 -40.24 -26.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' LYS . 2.3 ttt -87.24 -40.67 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.6 pt-20 -64.65 -39.47 93.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.758 HD21 ' HD2' ' A' ' 105' ' ' LYS . 31.2 mt -66.03 -39.37 90.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.751 ' CD1' HD13 ' A' ' 27' ' ' LEU . 11.2 m95 -74.33 -41.71 60.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.439 ' HE3' ' HB3' ' A' ' 87' ' ' PHE . 6.0 mtt -66.09 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' MET . 19.8 mmmt -37.23 -41.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -77.03 -63.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.572 ' HA ' HD13 ' A' ' 67' ' ' LEU . 23.1 mtt -38.3 -50.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 115' ' ' LEU . 3.8 mm? -57.5 -37.43 72.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.609 ' HA ' HD23 ' A' ' 119' ' ' LEU . 5.9 t0 -54.17 -43.54 70.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -82.69 -50.5 8.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.64 -47.06 58.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.6 pp -48.36 -29.8 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 117' ' ' ALA . 79.4 t -52.4 138.58 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -115.16 88.18 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 122' ' ' THR . 14.4 t -129.47 38.73 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 t -136.95 173.11 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -74.46 -172.23 27.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.98 39.07 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.729 2.286 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 77.7 p -93.61 107.68 19.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.4 t -151.55 123.87 8.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 m -45.91 127.01 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -114.34 96.17 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.93 152.05 12.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -118.27 106.78 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 m -105.44 91.34 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.34 76.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -75.1 118.77 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 46.1 40.22 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -58.26 129.85 43.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -70.49 -47.53 60.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -122.97 171.11 9.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.501 HD13 HD21 ' A' ' 66' ' ' LEU . 22.0 mt -121.27 153.61 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' HG22 ' A' ' 13' ' ' ILE . 16.4 tptm -133.66 131.81 39.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 5.1 ttp-105 -63.21 122.04 15.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.408 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 2.1 t-20 -70.78 142.31 88.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 16' ' ' ASN . 63.9 Cg_endo -77.91 -49.14 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.371 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -52.88 -44.7 67.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.22 136.21 80.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 111.057 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.95 173.84 12.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -112.05 124.22 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.81 -59.89 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -161.76 142.02 10.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.58 ' HB2' HG22 ' A' ' 44' ' ' VAL . 10.0 ptp180 -132.34 122.88 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.79 168.9 31.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -81.51 99.22 8.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD13 ' CD1' ' A' ' 110' ' ' TRP . 23.6 tp -99.63 149.14 23.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -94.4 127.16 40.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -109.76 136.03 49.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -89.34 165.65 14.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -100.01 170.31 8.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -111.33 -48.11 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.3 t -91.26 171.62 9.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.181 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.9 -109.32 0.7 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 83.1 mmm -99.14 175.77 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.69 43.01 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.2 mt -73.81 164.94 25.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -93.55 133.48 36.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -118.61 141.1 48.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -86.21 135.2 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -159.36 142.16 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 26.5 t-105 -72.49 119.89 17.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -115.46 151.89 33.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 24' ' ' ARG . 53.3 t -143.19 132.65 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.55 105.94 16.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -141.84 151.59 42.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 t70 43.51 37.74 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.618 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.8 mm? 52.51 41.68 31.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.583 ' SG ' ' CZ ' ' A' ' 51' ' ' PHE . 46.4 t -142.42 154.45 44.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.3 mt -94.31 130.48 40.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.583 ' CZ ' ' SG ' ' A' ' 49' ' ' CYS . 56.1 m-85 -141.73 131.61 24.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.7 p90 -131.99 164.71 25.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -144.64 160.19 41.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.51 ' HG3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -41.2 -44.53 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -147.42 -175.33 4.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.9 pt-20 -66.14 -12.48 56.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -54.44 -23.96 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.05 53.89 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -121.89 103.27 8.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.05 119.26 0.1 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.471 HG12 ' CE2' ' A' ' 53' ' ' TYR . 80.7 mt -79.97 129.77 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.51 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -81.11 -28.69 35.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -179.41 130.65 1.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -98.54 148.18 24.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.655 HG23 ' HE2' ' A' ' 70' ' ' PHE . 38.9 mt -125.87 123.34 63.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.501 HD21 HD13 ' A' ' 13' ' ' ILE . 4.1 mm? -80.24 110.6 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.0 mt -70.15 -42.21 16.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.6 Cg_exo -47.94 -25.18 5.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.435 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 10.7 m -92.67 -25.58 18.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.655 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.3 m-85 -79.9 162.13 25.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -123.82 106.98 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.418 HG21 ' CD2' ' A' ' 115' ' ' LEU . 4.8 mm -80.84 115.03 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.42 139.63 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -51.28 135.03 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 50.2 mt -43.72 163.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.8 p -127.54 -176.51 3.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -66.08 -18.32 65.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -88.84 21.02 3.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 80' ' ' HIS . 1.7 p-10 -91.47 -43.3 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.458 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 8.8 m170 49.53 39.59 17.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.2 mt -101.05 149.58 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -86.28 -42.94 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -65.73 145.28 56.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 85' ' ' TYR . 13.9 ptmt -111.77 172.73 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.464 ' CD1' ' HG3' ' A' ' 84' ' ' LYS . 2.8 m-85 62.21 39.65 12.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -125.2 164.73 19.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -134.47 175.67 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.2 pttp -134.89 151.35 50.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.24 119.95 32.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.07 137.76 32.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 13.5 t-80 -125.07 140.75 36.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.532 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.76 -49.18 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -92.04 6.64 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.51 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 26.3 mtp -144.44 -178.93 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -175.0 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.6 m -93.85 120.82 34.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -87.79 169.88 11.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -141.76 139.57 32.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -143.5 138.14 29.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.66 161.78 33.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.436 HG21 ' O ' ' A' ' 106' ' ' GLU . 41.0 p -127.62 -175.13 3.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -87.43 -38.24 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.2 p -139.73 178.62 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.06 -32.78 85.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.52 ' HZ2' HD11 ' A' ' 109' ' ' LEU . 13.3 tptp -65.84 -62.2 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.436 ' O ' HG21 ' A' ' 101' ' ' THR . 5.0 mm-40 -46.36 -20.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.3 ttt -88.02 -41.56 13.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -64.38 -40.67 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.52 HD11 ' HZ2' ' A' ' 105' ' ' LYS . 30.9 mt -62.55 -34.79 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.539 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.9 m95 -79.68 -44.67 20.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' LYS . 8.0 mtp -62.43 -63.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' MET . 15.1 mmtp -36.64 -42.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -78.32 -62.66 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.522 ' HA ' HD13 ' A' ' 67' ' ' LEU . 37.5 mtt -39.78 -56.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 115' ' ' LEU . 4.0 mm? -51.64 -36.22 45.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.771 ' HA ' HD23 ' A' ' 119' ' ' LEU . 3.7 t70 -56.59 -33.6 66.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.474 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -87.32 -48.28 8.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.53 -47.87 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -46.46 -31.1 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.3 t -49.59 131.61 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -105.54 58.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.1 t -107.41 29.8 6.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.4 m -109.81 175.62 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 105.99 -145.18 15.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -43.75 126.3 5.62 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.28 . . . . 0.0 112.32 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.3 m -52.63 134.98 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.0 m -76.24 100.04 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -110.91 175.88 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -97.96 93.36 6.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.28 93.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -166.61 117.61 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -55.52 -17.09 4.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.6 -61.76 4.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -97.42 153.43 18.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.715 0.293 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -112.68 151.63 29.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' ASN . 7.7 t -121.71 168.4 11.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' SER . 45.4 t-20 -34.46 -47.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 p -121.85 162.19 21.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.471 ' CD1' HD21 ' A' ' 66' ' ' LEU . 39.6 mt -121.07 133.3 68.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -101.91 129.07 48.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HG2' ' CE2' ' A' ' 51' ' ' PHE . 5.4 mtp-105 -66.96 -179.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -133.76 94.3 19.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -43.02 -51.81 5.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.258 . . . . 0.0 112.382 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -52.15 -48.95 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.99 104.49 0.4 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.527 0.68 . . . . 0.0 111.097 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.11 128.53 14.17 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.396 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.5 t -79.71 124.22 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.7 t -63.43 -51.59 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 109' ' ' LEU . 5.2 ttp-105 -173.68 140.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.547 ' CB ' HG22 ' A' ' 44' ' ' VAL . 8.2 ptt85 -126.6 124.44 39.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.67 158.77 28.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -70.81 97.02 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' CD1' ' A' ' 110' ' ' TRP . 13.6 tp -96.79 141.14 30.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -88.3 141.17 28.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -133.81 139.47 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.78 155.48 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -112.44 117.38 32.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.8 t -61.32 -54.47 43.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 33' ' ' THR . 5.4 t -86.43 85.57 7.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.26 -124.72 1.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 75.6 mtp -123.86 39.99 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 42.85 37.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.433 ' C ' ' HE3' ' A' ' 39' ' ' LYS . 91.9 mt -87.97 163.32 16.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.441 ' C ' ' HE2' ' A' ' 39' ' ' LYS . 44.2 m95 -91.26 114.54 27.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HE2' ' C ' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -97.98 147.7 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -82.2 136.29 35.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -157.99 147.33 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -81.38 106.87 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 22.0 m-85 -104.85 138.96 40.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.547 HG22 ' CB ' ' A' ' 24' ' ' ARG . 45.9 t -130.39 131.52 65.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -98.27 101.47 12.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -140.77 152.79 45.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 43.6 53.51 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 36.41 49.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 86.7 m -151.74 175.98 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.5 mt -117.4 136.83 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.463 ' CE2' ' HG2' ' A' ' 15' ' ' ARG . 76.4 m-85 -141.86 135.96 30.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -133.53 146.42 51.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -131.05 168.01 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.777 ' HG3' HD21 ' A' ' 62' ' ' LEU . 89.3 mtt180 -49.28 -46.87 46.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -153.4 -179.78 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -55.2 -16.17 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -58.81 -11.19 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 40.97 51.38 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -112.66 114.08 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.71 113.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.522 HG12 ' CE2' ' A' ' 53' ' ' TYR . 69.2 mt -75.9 130.08 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.777 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -77.91 -24.83 48.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.92 144.34 5.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.9 p -107.16 146.37 31.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.571 HG23 ' HE2' ' A' ' 70' ' ' PHE . 45.1 mt -120.87 124.95 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.2 mm? -85.85 109.38 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.603 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.7 mt -66.61 -44.26 54.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.586 0.708 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.7 Cg_exo -47.95 -25.04 5.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.429 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 30.5 m -92.51 -21.78 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.571 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.9 m-85 -85.46 164.64 17.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -126.93 107.53 10.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -80.24 112.73 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.28 137.79 22.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -50.11 152.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.8 mt -66.26 155.95 35.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 p -128.57 170.85 12.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.8 m -51.43 -34.73 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.27 -55.05 35.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -49.03 125.7 11.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -91.13 47.66 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.569 HG22 ' HB2' ' A' ' 83' ' ' ARG . 56.4 mt -121.65 -52.03 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.4 OUTLIER 61.2 25.8 15.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.569 ' HB2' HG22 ' A' ' 81' ' ' ILE . 6.8 tpm_? -74.77 125.95 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 4.6 mmmt -67.4 161.51 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.586 ' CD1' ' HB3' ' A' ' 84' ' ' LYS . 8.6 m-85 37.19 28.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 84' ' ' LYS . . . -116.94 147.48 42.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -127.16 -176.17 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -143.45 148.53 36.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.39 119.91 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.54 136.35 33.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 16.7 t-80 -124.37 140.62 35.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -73.95 -48.37 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -93.21 9.31 36.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.523 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.5 mtp -146.52 179.55 7.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 95' ' ' ARG . 3.5 ptm85 -83.0 -175.87 6.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.0 m -94.0 120.87 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -87.79 161.78 17.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' A' ' 81' ' ' ILE . 59.4 m-85 -133.94 127.62 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -128.5 140.92 51.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 13.0 p -136.01 162.01 34.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.6 p -133.44 -177.64 4.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.1 -44.71 25.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.8 t -143.68 -175.12 4.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.79 -42.08 97.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.462 ' HE2' HD21 ' A' ' 109' ' ' LEU . 22.1 tptm -53.83 -64.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.303 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -47.59 -23.7 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.8 ttp -85.71 -40.73 15.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.98 -33.36 74.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.462 HD21 ' HE2' ' A' ' 105' ' ' LYS . 71.4 mt -69.7 -32.09 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.606 ' CD1' HD13 ' A' ' 27' ' ' LEU . 17.1 m95 -84.99 -43.67 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' LYS . 3.5 mtt -59.16 -67.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' MET . 1.4 mmpt? -34.31 -45.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.27 -63.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.483 ' HA ' HD13 ' A' ' 67' ' ' LEU . 26.5 mtt -41.69 -54.71 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 115' ' ' LEU . 3.8 mm? -52.95 -38.45 62.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.721 ' HA ' HD23 ' A' ' 119' ' ' LEU . 4.5 t0 -55.43 -42.16 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -81.61 -52.19 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.24 -50.87 48.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.721 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.6 pp -43.34 -28.51 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 117' ' ' ALA . 80.0 t -54.13 141.37 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -111.74 83.03 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 122' ' ' THR . 13.8 t -127.61 41.24 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.6 p -160.51 173.56 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.81 79.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.75 130.45 12.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.401 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.0 m -108.07 43.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.1 m -108.33 99.68 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 p -141.46 173.03 11.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.378 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 t -53.15 117.71 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.47 114.98 4.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.438 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -80.55 113.1 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -45.0 -58.59 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.26 71.9 1.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.02 145.97 29.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -103.22 105.82 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -132.02 141.05 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -42.95 -41.96 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -122.5 170.28 10.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.1 mt -108.12 141.44 23.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -121.92 137.08 54.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -63.94 169.87 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.446 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 14.8 t30 -116.61 143.18 30.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 16' ' ' ASN . 62.1 Cg_endo -78.0 -46.08 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -58.61 -43.54 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.01 111.66 3.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.42 116.73 4.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -52.97 128.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -72.96 -50.66 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -173.08 143.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -132.64 131.42 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.59 157.97 29.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.475 ' HB3' ' CE ' ' A' ' 40' ' ' LYS . 87.3 m95 -66.32 101.2 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.755 HD13 ' CD1' ' A' ' 110' ' ' TRP . 30.2 tp -100.41 161.2 13.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.606 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 6.1 m-30 -107.3 121.1 43.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -99.17 140.0 33.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 23.8 tt0 -99.52 108.63 21.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.45 125.51 28.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.3 t -87.06 45.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.0 p -127.88 125.29 39.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.55 -101.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.1 mtp -78.24 103.46 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -67.29 75.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.6 mt -101.5 173.22 6.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 30' ' ' GLN . 32.3 m95 -105.16 113.97 27.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 1.3 mptp? -96.25 119.86 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.606 ' HG2' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -73.26 130.25 39.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -153.17 173.0 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 30.0 t-105 -90.28 129.81 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.526 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 21.0 m-85 -123.63 158.47 31.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -150.23 135.42 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -104.65 98.15 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -138.46 156.25 47.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.02 32.7 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.4 mt 54.71 34.53 21.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 60.1 m -138.82 177.18 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -108.27 135.39 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -144.15 127.09 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 17.6 p90 -128.13 159.85 33.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.583 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -141.75 162.79 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.929 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -41.15 -49.73 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.78 -177.15 5.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.61 -18.42 11.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -59.46 -14.23 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 45.36 50.84 9.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.56 91.2 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.23 128.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 53' ' ' TYR . 94.1 mt -81.78 130.17 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -80.07 -29.05 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.41 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -173.82 141.56 6.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 p -108.75 150.26 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.598 HG23 ' HE2' ' A' ' 70' ' ' PHE . 44.0 mt -129.54 131.26 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.74 111.33 21.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.654 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 32.8 mt -72.81 -41.14 6.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.654 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 63.8 Cg_exo -47.92 -25.93 6.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 25.1 m -93.45 -25.49 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.598 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.3 m-85 -79.65 154.09 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -119.18 110.15 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.451 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.4 mm -80.2 120.17 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.57 135.99 21.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.79 135.04 51.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.445 HD23 ' HG2' ' A' ' 88' ' ' LYS . 84.0 mt -47.96 159.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 77' ' ' SER . 34.2 p -141.96 173.76 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 76' ' ' THR . 28.8 t -35.24 -53.74 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -44.54 -45.48 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 76' ' ' THR . 1.9 m-20 -83.77 74.98 10.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -78.94 71.54 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.578 HG22 ' H ' ' A' ' 83' ' ' ARG . 85.4 mt -99.69 136.76 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -65.33 -36.08 82.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.578 ' H ' HG22 ' A' ' 81' ' ' ILE . 2.9 tpm_? -74.67 124.42 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -96.73 179.44 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 59.61 36.04 22.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -127.82 162.64 26.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.3 p90 -131.42 -177.17 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HG2' HD23 ' A' ' 75' ' ' LEU . 20.1 pttt -144.89 152.18 39.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.96 122.02 37.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.6 142.41 27.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 16.8 t-80 -132.13 139.62 35.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.731 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.63 -50.08 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -89.61 5.25 46.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.496 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 22.5 mtp -144.12 -176.97 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -88.64 -177.35 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.2 m -92.57 125.22 37.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -91.37 172.46 8.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 88' ' ' LYS . 56.8 m-85 -146.65 138.97 24.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -141.11 148.57 40.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 1.8 p -145.42 159.52 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.602 HG21 ' O ' ' A' ' 106' ' ' GLU . 9.1 p -129.32 178.16 6.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -46.76 58.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.6 p -131.05 179.24 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.64 99.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.542 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' CD ' HD11 ' A' ' 109' ' ' LEU . 3.4 tmmm? -58.01 -61.11 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.602 ' O ' HG21 ' A' ' 101' ' ' THR . 23.6 mt-10 -46.89 -20.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.45 -41.13 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 4.5 pt-20 -61.65 -46.3 90.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 108' ' ' GLU . 15.3 mt -52.36 -38.35 58.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.755 ' CD1' HD13 ' A' ' 27' ' ' LEU . 14.1 m95 -78.13 -48.1 16.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 112' ' ' LYS . 16.3 mtp -58.88 -61.5 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 111' ' ' MET . 26.9 mmtm -38.07 -39.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.18 -61.92 1.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 41.0 mtt -42.9 -57.8 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -46.23 -34.09 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -78.46 -31.68 48.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.415 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -84.89 -15.07 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -93.64 -47.39 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' VAL . 0.8 OUTLIER -63.63 -27.58 69.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' LEU . 9.9 p -33.87 139.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -102.36 56.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 122' ' ' THR . 9.7 t -103.7 33.17 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 55.5 p -42.23 110.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -140.66 147.96 19.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.59 86.23 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.28 . . . . 0.0 112.383 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.6 m -124.05 87.78 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.8 t -60.21 134.59 57.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -154.62 124.09 6.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.381 . . . . 0.0 110.787 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -93.88 171.13 9.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.61 -170.8 12.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.495 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -154.42 141.38 19.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.822 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -171.58 160.09 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.56 -150.89 5.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -147.45 120.01 8.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 ttm105 -70.98 118.98 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 m -133.5 165.99 23.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -78.55 -58.11 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 t -58.14 175.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.657 HD12 ' OG ' ' A' ' 64' ' ' SER . 24.2 mt -110.2 139.13 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 15' ' ' ARG . 3.3 tmtm? -114.44 136.49 52.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 51.1 ttt-85 -89.66 151.2 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -115.09 94.57 39.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.607 0.718 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -43.67 -49.81 7.61 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -49.1 -49.89 39.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -38.29 102.37 0.24 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.576 0.703 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -44.29 105.12 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.258 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.19 130.17 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.0 t -72.23 -50.03 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.431 ' HD2' HD13 ' A' ' 109' ' ' LEU . 16.3 ttp85 -174.94 136.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -124.26 129.33 50.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.39 153.46 24.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.447 ' CD2' ' HE3' ' A' ' 40' ' ' LYS . 96.7 m95 -61.69 100.85 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.62 HD13 ' CD1' ' A' ' 110' ' ' TRP . 24.2 tp -100.47 146.01 27.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -94.9 136.98 34.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -124.16 152.92 42.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 36.7 tt0 -105.49 154.39 20.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -86.66 167.12 14.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.1 m -118.12 43.09 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.5 147.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.159 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.68 -126.9 33.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.83 133.36 47.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 1.5 mptm? -98.76 67.51 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -93.45 178.15 5.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.419 ' C ' ' HE3' ' A' ' 39' ' ' LYS . 62.7 m95 -109.2 124.92 51.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -95.91 165.87 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HE3' ' CD2' ' A' ' 26' ' ' TRP . 35.9 tptt -116.96 125.85 52.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 54' ' ' ARG . 1.6 tpm_? -156.79 155.01 30.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.504 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 55.3 t-105 -80.11 123.45 27.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -115.8 164.01 15.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.1 t -152.19 136.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.35 99.27 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 t -142.64 151.14 41.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.08 38.6 24.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.8 mt 49.67 38.82 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 6.3 t -143.39 169.4 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -109.45 132.98 53.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 49' ' ' CYS . 78.8 m-85 -142.1 135.45 29.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE2' ' O ' ' A' ' 63' ' ' GLY . 19.9 p90 -133.64 161.45 34.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -143.93 158.95 43.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.517 ' HG3' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -35.76 -50.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -145.53 176.08 9.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 7.4 pt-20 -52.06 -24.89 7.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -49.29 -23.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.406 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 57.1 mt-10 60.9 40.97 14.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -92.3 101.61 14.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.64 133.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.648 HG22 ' H ' ' A' ' 63' ' ' GLY . 94.6 mt -84.81 131.29 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.517 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -85.44 -12.3 52.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.648 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 167.98 135.53 1.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.657 ' OG ' HD12 ' A' ' 13' ' ' ILE . 17.4 p -104.62 151.22 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.639 HG23 ' HE2' ' A' ' 70' ' ' PHE . 49.2 mt -130.7 127.73 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.46 110.9 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.672 HD13 ' HA ' ' A' ' 114' ' ' MET . 12.0 mt -69.0 -43.74 26.74 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.3 Cg_exo -47.99 -26.87 8.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.44 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 50.8 m -91.18 -21.21 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.639 ' HE2' HG23 ' A' ' 65' ' ' ILE . 8.8 m-85 -86.59 152.8 22.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -116.81 108.69 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.498 HG21 ' CD2' ' A' ' 115' ' ' LEU . 5.9 mm -80.08 120.05 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.83 133.95 16.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.55 137.89 18.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.3 mt -45.76 171.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.0 t -153.81 164.6 38.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 78' ' ' GLU . 5.7 t -41.24 -57.1 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -36.1 -43.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -59.85 127.19 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -83.77 35.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.692 HG22 ' H ' ' A' ' 83' ' ' ARG . 51.4 mt -115.23 111.96 37.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -88.86 24.46 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.692 ' H ' HG22 ' A' ' 81' ' ' ILE . 7.5 mmp_? -93.15 -178.31 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -136.68 -177.35 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.414 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 2.0 m-85 43.43 45.82 5.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.48 ' HB2' ' CB ' ' A' ' 100' ' ' CYS . . . -147.97 158.89 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -136.84 178.15 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -133.91 154.1 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.5 122.64 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.03 142.67 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 49.7 t-80 -137.98 140.0 27.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.5 Cg_endo -73.3 -50.28 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -90.4 15.65 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.53 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.8 mtm -152.31 -174.99 5.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.33 -177.52 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.3 m -88.94 126.96 35.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 3.0 m-85 -96.57 171.87 8.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.527 ' CD2' ' CD1' ' A' ' 81' ' ' ILE . 33.3 m-85 -146.39 133.25 20.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -138.11 141.31 40.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 86' ' ' ALA . 11.5 p -131.81 162.71 29.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.3 p -129.48 177.19 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.63 -39.28 62.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 0.1 OUTLIER -147.88 171.15 16.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 103' ' ' THR . . . -52.53 -34.44 42.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.466 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.577 ' CD ' ' N ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -60.12 -64.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 105' ' ' LYS . 6.3 mt-10 -46.93 -20.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.9 ttt -89.08 -39.81 13.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.86 -38.11 81.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.431 HD13 ' HD2' ' A' ' 23' ' ' ARG . 64.7 mt -67.37 -51.8 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.62 ' CD1' HD13 ' A' ' 27' ' ' LEU . 15.2 m95 -60.99 -48.0 83.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.8 mtt -57.66 -59.42 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -39.65 -41.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -79.98 -66.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.672 ' HA ' HD13 ' A' ' 67' ' ' LEU . 23.2 mtt -36.68 -58.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.498 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.4 mm? -52.38 -41.55 63.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.1 t70 -71.03 -24.8 62.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.412 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -98.81 -2.5 37.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.84 -43.77 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.856 HD13 ' N ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -54.86 -17.85 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.856 ' N ' HD13 ' A' ' 119' ' ' LEU . 4.4 p -72.56 131.08 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -97.22 89.61 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.3 t -158.35 165.39 34.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 m 45.68 52.39 9.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 168.99 -84.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.68 139.79 22.97 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.2 t -101.3 -65.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -151.11 166.18 31.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -80.36 97.96 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 m -63.67 117.53 6.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.83 -179.11 27.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -155.06 153.11 30.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -90.66 -44.07 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.61 169.24 26.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -38.47 148.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -139.4 143.84 37.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -153.46 142.51 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -45.04 -54.24 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.3 m -82.29 178.55 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.1 mt -108.98 134.22 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -116.09 130.69 56.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 8.8 ttp-105 -61.83 135.53 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -87.94 141.64 31.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.62 -45.57 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.301 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.06 -31.44 71.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.8 134.82 78.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.598 0.714 . . . . 0.0 111.06 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -79.98 115.65 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.12 123.15 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.33 -56.44 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -167.51 142.34 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' CB ' HG22 ' A' ' 44' ' ' VAL . 16.0 ptt180 -133.07 127.86 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.78 158.03 28.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.577 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 81.8 m95 -70.19 89.45 0.64 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.578 HD13 ' CD1' ' A' ' 110' ' ' TRP . 52.9 tp -88.44 157.66 18.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -101.27 134.3 44.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -128.52 152.34 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -76.35 174.0 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.74 -47.66 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 m 58.52 45.29 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.4 p -126.52 35.47 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.62 -46.48 1.08 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 37' ' ' LEU . 10.7 mtp -128.28 110.15 12.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -58.13 78.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 35' ' ' MET . 38.7 mt -115.2 170.09 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -110.62 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -114.58 151.16 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -93.1 138.83 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.7 tpp85 -158.71 152.42 23.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.577 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 21.9 t-105 -78.38 123.24 26.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.426 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 31.6 m-85 -119.34 166.13 13.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.402 HG22 ' CB ' ' A' ' 24' ' ' ARG . 70.7 t -156.16 132.32 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -104.54 97.95 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -135.01 149.68 50.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.2 t0 45.12 45.12 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.512 HD12 ' CA ' ' A' ' 117' ' ' ALA . 3.4 mm? 46.42 46.29 13.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 34.3 t -149.89 158.4 44.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.7 mt -97.74 137.87 35.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -144.93 124.56 13.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 21.2 p90 -127.55 160.6 31.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -139.89 178.71 7.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.946 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.608 ' HG3' HD21 ' A' ' 62' ' ' LEU . 91.7 mtt180 -54.66 -48.87 71.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 10.3 p30 -153.43 -175.54 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -49.48 -32.17 11.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' CB ' ' HG3' ' A' ' 59' ' ' GLU . 6.2 mmmm -47.46 -25.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 55.47 41.07 31.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' HG3' ' CB ' ' A' ' 57' ' ' LYS . 6.2 mt-10 -91.77 108.22 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.02 133.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 53' ' ' TYR . 61.0 mt -86.57 125.94 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.608 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -76.02 -34.46 59.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.54 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -169.44 140.31 6.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 p -104.86 148.01 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.68 HG23 ' HE2' ' A' ' 70' ' ' PHE . 40.9 mt -126.31 125.26 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.04 110.68 19.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.5 mt -67.64 -43.99 42.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.4 Cg_exo -47.98 -25.4 6.32 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.712 2.275 . . . . 0.0 112.379 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.442 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 61.6 m -92.44 -21.67 20.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.68 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.6 m-85 -85.33 153.77 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -116.51 107.91 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.44 HG21 ' SD ' ' A' ' 111' ' ' MET . 5.0 mm -80.14 111.09 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.52 134.34 25.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.81 135.79 47.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 mt -47.17 161.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.9 p -145.21 175.63 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -46.11 -47.31 17.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -43.09 -48.53 6.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -62.14 121.66 13.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -84.21 36.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.447 HG22 ' H ' ' A' ' 83' ' ' ARG . 56.6 mt -111.62 121.12 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -91.85 38.46 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.447 ' H ' HG22 ' A' ' 81' ' ' ILE . 5.2 mmp_? -97.4 159.46 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.598 ' HE2' ' CE1' ' A' ' 85' ' ' TYR . 21.3 ptmt -122.13 154.1 37.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.598 ' CE1' ' HE2' ' A' ' 84' ' ' LYS . 9.9 m-85 58.61 42.66 20.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.27 154.8 50.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.9 p90 -131.5 172.6 12.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -134.43 151.91 51.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -121.3 120.15 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.65 137.59 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 43.3 t-80 -129.07 139.84 36.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.565 0.698 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.8 Cg_endo -73.46 -48.71 0.24 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -92.88 17.54 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.512 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 28.3 mtm -154.7 -178.13 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 2.5 ptp180 -87.27 178.67 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 m -88.75 120.56 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -88.93 165.07 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -143.6 131.76 21.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -134.36 144.62 48.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 17.4 p -137.3 162.32 33.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 106' ' ' GLU . 19.4 p -130.85 -178.38 4.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -43.5 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 4.7 t -142.94 -179.8 6.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' N ' ' OG1' ' A' ' 103' ' ' THR . . . -57.42 -40.79 92.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.903 ' HE2' HD11 ' A' ' 109' ' ' LEU . 2.8 tmtt? -56.76 -64.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.734 0.302 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.507 ' O ' HG21 ' A' ' 101' ' ' THR . 27.2 mt-10 -46.66 -20.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 ttt -88.32 -41.97 12.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -62.06 -35.16 77.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.903 HD11 ' HE2' ' A' ' 105' ' ' LYS . 39.4 mt -64.91 -41.53 95.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.578 ' CD1' HD13 ' A' ' 27' ' ' LEU . 14.5 m95 -75.58 -51.38 13.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.44 ' SD ' HG21 ' A' ' 72' ' ' ILE . 14.4 mmm -57.05 -59.35 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 111' ' ' MET . 27.4 mmtm -37.85 -41.29 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -82.88 -65.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.583 ' HA ' HD13 ' A' ' 67' ' ' LEU . 29.6 mtt -34.33 -56.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.48 -41.55 60.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.79 ' HA ' HD23 ' A' ' 119' ' ' LEU . 7.5 t0 -58.7 -27.33 64.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -91.07 -45.18 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 120' ' ' VAL . . . -61.8 -52.35 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.2 pp -36.87 -32.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 117' ' ' ALA . 94.1 t -43.93 138.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -105.05 46.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.2 t -89.5 30.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.1 m -65.7 133.05 50.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -139.19 95.29 0.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -45.13 -35.04 10.24 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.3 m -75.36 87.31 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.2 t -90.09 95.75 10.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.443 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -52.17 -55.37 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.0 m -93.37 -46.09 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.79 -112.39 1.18 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -156.72 151.87 26.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -76.99 -44.95 29.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.91 171.69 12.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.87 165.6 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -98.73 146.89 25.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -87.56 -57.29 3.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -42.45 -52.82 4.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 p -135.15 163.66 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mt -107.73 134.51 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -126.47 131.74 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ttp-105 -58.76 158.64 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -122.32 97.43 45.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.701 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -42.57 -52.49 4.41 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.667 2.244 . . . . 0.0 112.295 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -48.63 -49.39 37.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.81 102.13 0.26 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 111.087 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.26 102.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.246 . . . . 0.0 112.345 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.7 125.27 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.49 -48.31 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -174.94 145.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 23' ' ' ARG . 14.5 ptt180 -135.34 128.46 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.11 156.01 27.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.553 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 82.6 m95 -65.97 92.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.756 HD13 ' NE1' ' A' ' 110' ' ' TRP . 27.0 tp -85.03 160.59 19.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -109.0 128.82 55.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -123.82 149.93 45.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -58.36 177.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -124.83 -39.08 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 m 59.92 49.77 7.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.0 p -133.14 73.72 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.01 -48.67 3.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' LEU . 89.9 mtp -133.9 127.59 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -59.16 80.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' MET . 14.7 mt -109.09 171.15 7.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -111.03 157.12 20.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -138.6 145.69 40.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -80.74 128.74 33.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -151.91 145.37 24.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.553 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 22.2 t-105 -75.28 135.1 40.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -135.96 150.08 49.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -139.22 126.64 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.5 100.52 12.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -144.55 154.43 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t70 47.03 42.13 12.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.77 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER 45.82 42.55 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.9 m -146.06 169.2 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 50' ' ' LEU . 8.6 mt -107.67 134.02 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -141.34 128.04 20.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 42' ' ' TRP . 21.0 p90 -131.18 156.39 45.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.547 ' CD1' ' HG2' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -131.65 175.48 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HA ' HD11 ' A' ' 62' ' ' LEU . 9.9 ptt180 -60.32 -34.32 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -161.36 -178.34 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.62 -34.35 58.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -48.17 -26.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.547 ' HG2' ' CD1' ' A' ' 53' ' ' TYR . 40.8 mt-10 52.08 45.98 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -101.46 81.82 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.41 114.92 3.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.436 HG12 ' CE2' ' A' ' 53' ' ' TYR . 96.3 mt -76.81 123.95 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -71.85 -30.85 65.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.33 144.52 6.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.442 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 p -104.72 153.44 21.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.686 HG23 ' HE2' ' A' ' 70' ' ' PHE . 47.3 mt -130.34 124.92 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.0 mm? -83.62 107.95 16.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 17.3 mt -68.44 -42.43 27.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 66.3 Cg_exo -48.08 -24.86 5.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 56.3 m -94.56 -21.33 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.686 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.8 m-85 -83.12 162.18 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -127.31 109.37 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.487 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.1 mm -80.09 120.93 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.23 141.45 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.57 136.01 57.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' ' 88' ' ' LYS . 51.5 mt -52.61 168.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 31.3 p -151.05 175.24 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.5 t -50.41 -24.11 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -62.07 -46.61 88.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.754 ' OD2' HD12 ' A' ' 81' ' ' ILE . 28.7 t0 -62.34 139.54 58.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -91.99 29.87 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.754 HD12 ' OD2' ' A' ' 79' ' ' ASP . 4.2 mt -116.36 142.49 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -119.07 41.75 2.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -94.76 143.38 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.503 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -81.31 162.56 23.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.503 ' CD1' ' HB3' ' A' ' 84' ' ' LYS . 15.3 m-85 33.94 54.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.42 148.66 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.506 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 3.6 p90 -139.33 166.8 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.49 ' HG2' HD23 ' A' ' 75' ' ' LEU . 18.7 pttt -134.33 152.93 52.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.68 129.3 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.88 142.64 30.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 25.7 t-80 -136.9 140.27 31.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -74.09 -48.86 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -90.91 11.23 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.489 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 44.8 mtm -148.29 -175.72 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -91.82 -177.79 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 m -91.55 122.63 34.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -88.81 173.16 8.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 59.9 m-85 -148.59 131.02 15.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.506 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 12.4 m-85 -136.13 133.91 37.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.79 162.78 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.4 HG21 ' C ' ' A' ' 106' ' ' GLU . 39.1 p -129.13 -175.41 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.92 -26.74 20.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.74 173.96 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.501 ' HA2' ' CD2' ' A' ' 85' ' ' TYR . . . -57.54 -53.2 46.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.75 ' HE2' HD11 ' A' ' 109' ' ' LEU . 6.4 tmtt? -49.54 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.731 0.3 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.4 ' C ' HG21 ' A' ' 101' ' ' THR . 11.1 mt-10 -42.36 -24.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 105' ' ' LYS . 3.1 ttt -90.07 -37.07 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.7 pt-20 -63.23 -35.1 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 105' ' ' LYS . 31.7 mt -66.18 -38.86 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.756 ' NE1' HD13 ' A' ' 27' ' ' LEU . 19.3 m95 -75.27 -51.0 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 112' ' ' LYS . 18.7 mtp -57.13 -64.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 111' ' ' MET . 27.6 mmtt -34.14 -40.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.83 -60.85 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 118' ' ' ALA . 36.9 mtt -44.64 -54.97 5.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 119' ' ' LEU . 4.4 mm? -51.22 -34.14 30.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.55 -31.39 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.453 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -87.94 -9.84 52.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 114' ' ' MET . . . -99.64 -46.74 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -64.05 -29.13 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 119' ' ' LEU . 3.7 p -35.27 135.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -91.71 96.33 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.6 t -165.59 140.24 4.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -149.09 111.75 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -82.48 -95.25 0.53 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.531 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.99 177.6 8.59 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 t -109.08 -48.77 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.7 p -102.52 134.86 45.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -165.42 177.65 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -130.66 123.93 30.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.74 75.35 0.39 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -152.23 131.57 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.836 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -83.63 112.33 19.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.06 94.82 0.58 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -103.52 -46.34 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -145.66 148.62 33.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 m -50.38 96.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -101.03 125.48 47.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.9 m -105.65 -177.53 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.538 HD12 ' OG ' ' A' ' 64' ' ' SER . 27.3 mt -123.98 156.39 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 13' ' ' ILE . 5.5 tmtm? -136.23 134.99 38.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 12.7 ttt85 -92.06 121.88 34.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -85.3 112.97 47.77 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.61 0.719 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -46.41 -56.91 2.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' ALA . 63.6 m-80 -44.56 -51.41 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 18' ' ' ASN . . . -36.65 101.76 0.22 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.565 0.698 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.5 132.36 15.98 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -81.11 115.78 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.67 -48.22 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -172.15 144.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' CB ' HG22 ' A' ' 44' ' ' VAL . 20.3 ptt180 -139.18 127.94 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.523 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -161.29 161.13 32.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.519 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 96.1 m95 -71.29 96.16 1.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' CD1' ' A' ' 110' ' ' TRP . 36.9 tp -97.72 155.96 16.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 41.1 m-85 -103.44 132.5 49.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -118.89 169.59 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' OE1' ' CE3' ' A' ' 38' ' ' TRP . 4.1 tp60 -97.34 133.87 41.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.45 144.37 27.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -66.74 -59.3 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -72.68 132.57 43.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.45 -168.31 12.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.8 mtm -88.48 43.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.97 44.93 29.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.9 mt -80.9 169.25 17.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.449 ' CE3' ' OE1' ' A' ' 30' ' ' GLN . 58.2 m95 -100.4 139.69 35.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -119.19 142.2 48.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 66.8 tttt -87.93 137.61 32.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -161.02 144.16 12.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 23.0 t-105 -70.1 113.25 7.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 26.5 m-85 -109.95 148.08 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.418 HG22 ' CB ' ' A' ' 24' ' ' ARG . 98.1 t -138.43 136.98 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 49' ' ' CYS . 0.6 OUTLIER -106.06 98.02 7.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 p -134.07 154.79 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.6 t0 45.88 34.3 1.87 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.673 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.2 mm? 54.9 38.84 31.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.523 ' O ' HD22 ' A' ' 45' ' ' LEU . 49.5 m -139.71 176.95 8.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.9 mt -112.34 129.86 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -140.48 125.3 18.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 12.0 p90 -124.71 154.25 41.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -134.48 176.21 8.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.957 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.665 ' HG3' HD21 ' A' ' 62' ' ' LEU . 67.6 mtt-85 -58.98 -44.2 91.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -157.06 -176.9 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -52.87 -22.11 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -22.17 12.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 52.46 34.74 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -85.38 98.84 10.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.2 141.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.492 HG13 ' CE2' ' A' ' 53' ' ' TYR . 86.4 mt -91.76 129.55 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.665 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.1 mt -78.29 -24.27 46.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.514 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 178.78 138.52 3.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.538 ' OG ' HD12 ' A' ' 13' ' ' ILE . 11.2 p -105.8 150.1 25.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.813 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.604 HG23 ' HE2' ' A' ' 70' ' ' PHE . 38.5 mt -128.78 126.13 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.07 110.11 18.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 17.3 mt -69.49 -42.49 20.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.544 0.688 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -48.01 -23.95 4.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.445 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 19.5 m -94.02 -24.89 17.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.604 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.7 m-85 -80.21 157.91 26.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 90' ' ' ALA . 7.1 tt0 -119.95 106.5 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.83 119.23 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.09 141.31 21.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -58.28 133.11 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.5 mt -44.76 155.78 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' SER . 8.9 t -138.97 171.55 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 78' ' ' GLU . 88.6 p -38.07 -56.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 77' ' ' SER . 8.2 mt-10 -35.64 -49.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -61.1 124.17 19.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -97.38 47.37 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.426 HG22 ' HB2' ' A' ' 83' ' ' ARG . 64.6 mt -112.51 128.99 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.44 41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.426 ' HB2' HG22 ' A' ' 81' ' ' ILE . 12.6 mmm180 -113.95 152.67 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 162.42 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 58.05 36.01 25.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.12 157.74 42.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.8 p90 -133.46 179.1 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.502 ' HD2' HG21 ' A' ' 96' ' ' THR . 11.9 pttm -139.0 154.99 48.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -123.14 127.99 49.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' ' 71' ' ' GLN . . . -99.66 132.89 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 30.1 t-80 -127.18 140.16 37.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.699 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.63 -49.49 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -88.65 9.52 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.447 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.7 mtm -148.68 -178.14 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -87.78 -178.0 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.502 HG21 ' HD2' ' A' ' 88' ' ' LYS . 31.8 m -89.64 121.19 31.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -90.4 165.02 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -139.98 134.82 32.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -135.79 139.09 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 16.3 p -136.59 161.77 34.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 p -129.39 -179.95 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -88.23 -33.26 18.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -134.45 176.34 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.52 -44.64 89.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.731 ' HE2' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -56.36 -61.1 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.746 0.308 . . . . 0.0 110.861 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -43.67 -22.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.6 ttt -89.5 -33.83 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.3 pt-20 -69.54 -42.28 74.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.731 HD11 ' HE2' ' A' ' 105' ' ' LYS . 49.9 mt -62.18 -35.0 77.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.556 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.3 m95 -77.49 -45.63 24.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 112' ' ' LYS . 6.7 mtp -61.55 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 111' ' ' MET . 23.8 mmtp -35.1 -43.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -77.28 -66.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.563 ' HA ' HD13 ' A' ' 67' ' ' LEU . 19.2 mtt -36.55 -56.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 115' ' ' LEU . 4.0 mm? -49.37 -56.54 9.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -48.18 -25.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -96.94 -21.22 17.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.47 -54.62 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.932 HD13 ' N ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -46.15 -21.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.932 ' N ' HD13 ' A' ' 119' ' ' LEU . 69.1 t -49.69 130.64 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -106.61 69.2 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 122' ' ' THR . 1.3 t -118.52 15.82 13.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.8 t -112.61 153.6 27.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -123.91 96.64 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -43.94 123.04 3.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.36 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m -96.9 126.85 42.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.5 m -142.94 135.23 27.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -150.89 138.16 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -140.88 124.08 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.15 48.92 0.23 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -84.38 163.27 19.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.362 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -129.21 124.33 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.64 91.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.444 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.04 154.67 20.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -70.94 95.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 t -80.79 -49.36 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -48.82 -47.66 42.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 m -82.49 168.69 17.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.5 mt -117.95 144.5 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -128.76 137.61 51.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB2' HD11 ' A' ' 61' ' ' ILE . 4.5 ttp180 -71.87 157.2 38.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -126.14 139.38 34.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.1 -48.36 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -51.84 -48.99 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.56 102.58 0.28 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.557 0.694 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.21 109.22 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.727 2.284 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.89 125.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -68.36 -58.15 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -166.89 133.33 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' CB ' HG22 ' A' ' 44' ' ' VAL . 6.0 ptt-85 -125.91 122.65 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.52 156.87 27.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.495 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 93.4 m95 -64.68 101.59 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.685 HD13 ' CD1' ' A' ' 110' ' ' TRP . 19.5 tp -105.62 152.45 23.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.508 ' CE1' ' HD3' ' A' ' 40' ' ' LYS . 58.5 m-85 -96.13 135.18 38.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -131.72 145.76 51.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 6.8 tt0 -78.2 116.53 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.65 146.0 32.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 m -111.92 41.58 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.6 p -122.89 43.68 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.84 -58.93 1.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.454 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -89.5 124.71 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -99.03 80.83 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.7 mt -111.01 167.98 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.517 ' CZ2' ' HG3' ' A' ' 83' ' ' ARG . 79.5 m95 -97.06 93.28 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -96.46 149.97 21.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.508 ' HD3' ' CE1' ' A' ' 28' ' ' TYR . 5.8 tptm -85.0 121.75 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -136.92 155.14 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.495 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 43.0 t-105 -86.64 122.87 31.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.494 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 43.4 m-85 -119.82 163.96 16.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.562 HG22 ' CB ' ' A' ' 24' ' ' ARG . 78.4 t -153.1 125.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -96.92 98.15 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 t -134.2 156.66 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.4 t0 41.13 39.73 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.61 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.1 mm? 50.67 43.42 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.5 t -145.88 163.52 34.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.5 mt -101.33 134.23 44.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -142.34 130.83 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.2 p90 -130.1 158.18 40.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.579 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -138.38 179.34 6.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.654 ' HG3' HD21 ' A' ' 62' ' ' LEU . 94.5 mtt180 -57.18 -47.27 81.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -154.03 -178.21 6.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -49.13 -33.53 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -30.5 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 60.73 45.93 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -90.96 94.8 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.19 129.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 53' ' ' TYR . 81.4 mt -79.6 129.16 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.654 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.3 mt -80.57 -31.08 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.518 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -173.92 139.16 4.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 p -103.46 155.96 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.492 HG23 ' HE2' ' A' ' 70' ' ' PHE . 65.4 mt -135.63 134.86 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.49 111.2 22.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.3 mt -71.05 -42.09 11.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.5 Cg_exo -47.96 -24.49 5.3 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.378 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.9 m -95.0 -20.96 18.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 6.9 m-85 -84.56 149.3 25.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -110.98 108.95 18.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.9 mm -79.98 110.83 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.39 136.43 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -46.69 139.03 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 88' ' ' LYS . 93.0 mt -40.41 154.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 77' ' ' SER . 1.4 t -175.28 -175.96 0.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.416 ' N ' HG23 ' A' ' 76' ' ' THR . 6.1 t 68.08 50.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 79' ' ' ASP . 4.3 pt-20 46.27 28.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -33.4 128.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -82.38 39.28 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.642 ' CD1' ' CD2' ' A' ' 98' ' ' TYR . 34.8 mt -121.12 110.49 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -84.53 39.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.517 ' HG3' ' CZ2' ' A' ' 38' ' ' TRP . 17.4 mmm180 -91.92 -179.82 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.18 161.3 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 39.84 46.33 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 99' ' ' PHE . . . -126.83 162.83 24.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -138.09 -178.99 5.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.475 ' HB3' HD23 ' A' ' 75' ' ' LEU . 30.7 pttt -141.0 149.28 41.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -120.15 118.42 30.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.69 138.5 31.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 25.2 t-80 -123.95 140.34 34.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.5 Cg_endo -74.18 -45.53 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -95.57 12.24 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.51 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 2.9 mpp? -149.05 -175.25 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -86.83 -175.44 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.5 m -94.1 119.93 33.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.95 156.14 18.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.642 ' CD2' ' CD1' ' A' ' 81' ' ' ILE . 21.6 m-85 -129.26 135.98 49.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.415 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 9.7 m-85 -137.27 151.97 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 14.1 p -145.88 161.13 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 106' ' ' GLU . 12.0 p -129.7 -176.63 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -88.37 -45.27 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.8 p -137.5 -177.9 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.57 -51.37 59.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.512 ' HE3' HD21 ' A' ' 109' ' ' LEU . 32.7 tptt -47.71 -55.0 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.699 0.285 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.524 ' O ' HG21 ' A' ' 101' ' ' THR . 17.3 mm-40 -55.5 -22.58 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.3 ttt -89.07 -37.51 15.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -70.21 -37.97 75.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.512 HD21 ' HE3' ' A' ' 105' ' ' LYS . 86.1 mt -68.11 -36.29 79.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.685 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.5 m95 -80.21 -39.74 28.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 112' ' ' LYS . 1.9 mtt -67.09 -65.16 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 111' ' ' MET . 39.0 mmtt -37.56 -44.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.26 -62.44 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.501 ' HA ' HD13 ' A' ' 67' ' ' LEU . 18.2 mtt -40.22 -54.3 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 115' ' ' LEU . 4.1 mm? -51.4 -58.96 4.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -46.41 -21.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -98.69 -26.63 14.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . -80.74 -50.16 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.934 HD13 ' N ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -53.3 -15.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.934 ' N ' HD13 ' A' ' 119' ' ' LEU . 78.9 t -52.94 129.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -100.0 79.18 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.483 HG22 HG12 ' A' ' 120' ' ' VAL . 15.2 t -141.08 124.59 16.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.4 p -87.26 -51.35 6.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 120.96 100.59 1.74 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.51 152.93 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 66.8 p 43.1 41.51 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 99.2 p -56.49 151.38 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -79.59 116.35 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -168.57 146.65 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.73 105.09 1.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -157.99 130.3 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.38 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -131.74 114.5 14.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.44 109.73 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.25 170.32 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.784 0.325 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -103.3 60.11 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.6 p -105.77 149.91 26.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -65.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 p -90.57 173.1 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.3 mt -118.34 140.24 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -120.1 127.12 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.549 ' NE ' HD11 ' A' ' 61' ' ' ILE . 38.3 mtm180 -48.61 164.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -116.91 93.61 42.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.97 -41.41 12.27 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -58.85 -36.18 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.65 125.26 90.31 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 111.081 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.44 123.9 6.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.23 125.85 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.94 -53.32 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 23' ' ' ARG . 15.1 ttm105 -169.8 139.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.62 ' HB3' HG22 ' A' ' 44' ' ' VAL . 17.1 ptt-85 -123.39 129.25 51.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.62 158.3 28.39 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -72.93 93.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.671 HD13 ' CD1' ' A' ' 110' ' ' TRP . 31.9 tp -86.84 162.0 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 16.6 m-85 -124.15 136.05 53.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -135.83 147.81 48.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.575 ' OE1' HD13 ' A' ' 81' ' ' ILE . 8.1 pt20 -113.75 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.07 175.71 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 m -115.71 7.34 14.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.7 p -106.35 146.77 30.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.61 -118.79 4.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -85.4 128.15 34.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -80.14 82.7 6.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.7 mt -112.33 167.23 10.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -108.7 164.51 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -145.38 138.93 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.524 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 52.4 tttt -79.23 134.27 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -152.69 137.54 17.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.415 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 33.4 t-105 -72.99 106.61 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.2 m-85 -99.61 168.57 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.62 HG22 ' HB3' ' A' ' 24' ' ' ARG . 22.3 t -157.59 119.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -89.31 98.53 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.5 t -143.41 154.94 44.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.95 29.32 7.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.542 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.9 mm? 55.89 36.55 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.3 m -140.55 -178.03 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 50' ' ' LEU . 9.7 mt -117.09 130.93 56.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -137.79 139.58 40.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.7 p90 -136.59 160.85 37.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -146.27 151.63 37.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' TYR . 21.4 mtt-85 -34.46 -49.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.56 176.15 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -50.36 -19.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -50.9 -24.15 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 61.5 48.95 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -81.8 -177.17 6.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' ILE . . . -39.31 102.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.549 HD11 ' NE ' ' A' ' 15' ' ' ARG . 79.7 mt -37.37 135.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -84.23 -26.15 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.478 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 173.64 145.08 4.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.0 p -107.4 149.37 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.611 HG23 ' HE2' ' A' ' 70' ' ' PHE . 44.5 mt -122.55 125.37 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.21 112.49 19.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.5 mt -71.88 -43.32 10.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.927 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.4 Cg_exo -47.93 -23.78 4.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.412 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 55.2 m -94.35 -27.56 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.611 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.9 m-85 -79.97 156.83 27.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -120.16 105.02 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.506 HG21 ' CD2' ' A' ' 115' ' ' LEU . 6.1 mm -80.14 119.44 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.52 149.91 33.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.49 140.23 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 76' ' ' THR . 13.4 mt -51.2 173.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 75' ' ' LEU . 10.4 p -160.67 165.38 30.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 76' ' ' THR . 17.0 t -34.31 -45.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.489 ' OE1' ' N ' ' A' ' 79' ' ' ASP . 1.2 pp20? -39.86 -50.25 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.489 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 1.1 p30 -86.03 102.81 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -82.11 39.52 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.575 HD13 ' OE1' ' A' ' 30' ' ' GLN . 84.0 mt -77.46 132.57 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -71.73 -38.9 70.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 4.8 mmm180 -52.56 151.07 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -117.81 -176.79 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.421 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 2.0 m-85 43.61 45.24 5.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' A' ' 99' ' ' PHE . . . -129.11 171.34 12.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.515 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -140.06 -175.88 4.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.423 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 31.5 pttt -144.46 142.24 30.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.99 124.88 52.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.91 143.43 28.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 13.7 t-80 -131.18 140.71 39.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.63 0.728 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.532 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.6 Cg_endo -73.77 -49.4 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -91.95 7.37 42.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.522 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.0 mtp -144.69 -175.8 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -90.35 -178.88 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.6 m -91.37 123.33 34.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.35 168.47 12.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -139.52 136.76 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.551 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 29.5 m-85 -141.63 155.7 45.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 15.3 p -148.0 162.68 38.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.582 HG21 ' O ' ' A' ' 106' ' ' GLU . 20.2 p -129.97 -178.03 4.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -80.18 -45.79 17.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.5 p -139.16 -176.76 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.89 -38.11 94.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -58.74 -61.46 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.582 ' O ' HG21 ' A' ' 101' ' ' THR . 15.2 mt-10 -50.09 -19.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.2 ttt -88.37 -45.54 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.63 -39.74 89.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.56 -45.53 90.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.671 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.8 m95 -68.88 -48.25 63.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 112' ' ' LYS . 17.7 mtp -61.7 -62.82 1.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 111' ' ' MET . 39.8 mmtt -34.44 -44.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.85 -60.19 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.532 ' HA ' HD13 ' A' ' 67' ' ' LEU . 16.9 mtt -41.89 -56.38 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.506 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.2 mm? -54.72 -41.49 70.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.99 -23.45 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.451 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -101.6 -1.89 31.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.93 -40.24 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.827 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -56.51 -15.3 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.807 ' N ' HD13 ' A' ' 119' ' ' LEU . 4.4 p -74.65 131.32 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -108.53 57.01 0.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 t -92.04 -0.29 57.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 85.0 p -100.22 159.84 14.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -160.55 96.12 0.14 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.86 100.72 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.733 2.288 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.9 p -62.86 -14.2 43.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 m -116.43 -56.83 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.446 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -105.17 41.96 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -134.6 151.32 50.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.16 152.2 7.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -170.83 135.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.9 p -173.28 143.7 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . 143.81 -72.91 0.35 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -34.75 -44.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 8' ' ' LYS . 29.9 mmt180 -35.47 144.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -111.29 150.5 29.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -102.63 43.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 p -163.31 163.51 25.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mt -121.71 132.39 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -113.79 135.23 54.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -91.52 121.88 33.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 7.1 t-20 -83.78 113.58 48.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.07 -60.64 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' ALA . 35.2 m-80 -40.85 -50.23 3.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 16' ' ' ASN . . . -36.74 101.79 0.22 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.542 0.687 . . . . 0.0 111.092 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.72 127.29 7.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.4 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -83.33 132.51 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -71.37 -47.94 56.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -172.94 142.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' CB ' HG22 ' A' ' 44' ' ' VAL . 27.2 ptt180 -133.06 119.11 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.92 143.88 10.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -54.91 99.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.566 HD13 ' CD1' ' A' ' 110' ' ' TRP . 54.1 tp -96.11 160.35 14.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -111.58 140.69 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HG3' ' CE1' ' A' ' 99' ' ' PHE . 8.5 ttmt -133.29 149.11 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 31.6 tt0 -99.87 157.5 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.47 112.77 20.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.4 t -49.88 -43.76 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.2 p -65.51 159.33 24.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.25 -149.33 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.556 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.7 tpp -67.83 146.42 53.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 11.5 mptt -85.96 79.48 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.3 mt -108.82 165.52 11.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -113.36 130.67 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -109.56 146.69 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -93.99 121.04 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -140.0 157.01 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -80.41 104.86 11.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -104.75 141.98 35.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.46 HG22 ' CB ' ' A' ' 24' ' ' ARG . 65.9 t -132.78 124.38 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -96.25 102.93 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -148.58 152.63 37.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 53.85 45.98 26.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.461 HD13 HG21 ' A' ' 120' ' ' VAL . 80.1 mt 42.01 42.45 2.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 t -152.01 164.4 37.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -104.56 131.91 51.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -137.18 133.53 35.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.548 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 5.1 p90 -134.51 162.08 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -139.19 -175.01 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HG2' HD21 ' A' ' 62' ' ' LEU . 29.8 mmt180 -64.53 -45.13 88.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.63 -175.05 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -54.28 -31.36 53.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 58' ' ' GLU . 26.8 mttt -54.38 -19.65 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.502 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER 30.67 47.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -94.43 36.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.81 110.34 0.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 53' ' ' TYR . 54.2 mt -70.8 131.53 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.576 HD21 ' HG2' ' A' ' 54' ' ' ARG . 1.2 mt -88.68 -30.63 19.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.548 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -174.36 131.07 1.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.4 p -97.38 154.66 17.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.821 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.566 HG23 ' HE2' ' A' ' 70' ' ' PHE . 60.4 mt -129.67 130.55 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.68 113.72 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.643 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 27.4 mt -74.59 -41.64 4.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.649 0.737 . . . . 0.0 110.975 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.9 Cg_exo -47.97 -24.09 4.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.438 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 8.0 m -94.84 -22.46 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 8.9 m-85 -82.94 156.78 23.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -118.39 108.28 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.487 HG21 ' CD2' ' A' ' 115' ' ' LEU . 4.8 mm -80.12 110.03 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.85 136.18 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.47 140.78 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.68 ' C ' HG23 ' A' ' 76' ' ' THR . 13.5 mt -53.0 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.68 HG23 ' C ' ' A' ' 75' ' ' LEU . 1.0 OUTLIER 74.91 25.3 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.431 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 1.3 t -134.9 71.36 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 66.87 40.77 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 77' ' ' SER . 0.4 OUTLIER -97.53 -34.41 10.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 62.69 27.91 16.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.576 HD12 ' CE1' ' A' ' 98' ' ' TYR . 85.3 mt -111.39 144.3 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -104.27 45.41 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -121.99 156.15 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -122.66 171.27 9.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 54.54 32.98 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -133.95 175.03 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -140.32 -175.95 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -150.59 139.9 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.87 125.07 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.44 134.21 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 38.2 t-80 -128.64 139.73 36.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.2 Cg_endo -72.26 -48.47 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -95.62 23.8 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.523 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 32.6 mtm -157.21 -175.59 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -91.5 -178.34 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.2 m -91.96 117.89 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -87.76 156.77 19.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.576 ' CE1' HD12 ' A' ' 81' ' ' ILE . 74.7 m-85 -132.93 144.88 50.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CE1' ' HG3' ' A' ' 29' ' ' LYS . 13.7 m-85 -145.65 131.65 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.0 p -132.91 162.47 31.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.549 HG21 ' O ' ' A' ' 106' ' ' GLU . 35.6 p -132.51 175.54 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -75.56 -43.46 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 73.1 p -132.45 168.21 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.11 -37.12 62.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.728 ' HE3' HD21 ' A' ' 109' ' ' LEU . 42.5 tptt -58.29 -60.66 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.549 ' O ' HG21 ' A' ' 101' ' ' THR . 7.9 mt-10 -48.46 -22.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 9.5 ttt -85.74 -48.28 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -58.53 -32.84 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.728 HD21 ' HE3' ' A' ' 105' ' ' LYS . 81.7 mt -69.41 -39.7 77.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.566 ' CD1' HD13 ' A' ' 27' ' ' LEU . 17.5 m95 -74.74 -44.52 49.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' LYS . 4.2 mtp -60.98 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' MET . 32.7 mmtp -37.65 -43.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.59 -66.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.514 ' HA ' HD13 ' A' ' 67' ' ' LEU . 31.8 mtt -39.79 -56.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.487 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.0 mm? -49.3 -45.94 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.551 ' HA ' HD23 ' A' ' 119' ' ' LEU . 13.5 t0 -49.47 -42.1 42.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -79.73 -50.53 10.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.72 -52.73 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.551 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -46.57 -26.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 117' ' ' ALA . 46.8 t -58.02 133.11 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.34 52.21 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.4 t -100.05 36.79 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.2 p -73.46 160.04 32.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -57.33 -61.95 6.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 126' ' ' SER . 72.5 Cg_exo -46.78 -24.99 3.35 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 125' ' ' PRO . 59.5 p -34.51 140.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 m -151.86 116.04 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -114.43 41.75 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -122.96 119.55 30.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.01 -160.62 23.66 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -110.92 97.45 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -77.86 100.49 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.44 51.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -153.71 128.18 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.743 0.306 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -46.12 115.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 t -106.94 105.97 16.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -84.45 -51.81 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 m -121.56 168.02 12.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.8 mt -108.68 136.54 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -103.95 129.65 51.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.1 ttp85 -57.77 169.59 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 45.1 t30 -124.41 101.68 33.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -42.85 -57.05 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.3 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -48.86 -49.14 40.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 16' ' ' ASN . . . -43.48 103.23 0.31 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.698 . . . . 0.0 111.109 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.09 126.24 9.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.9 t -77.94 119.69 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.9 t -65.65 -59.26 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -164.49 148.4 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.535 ' HB2' HG22 ' A' ' 44' ' ' VAL . 10.8 ptp180 -135.36 134.12 39.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.5 156.12 27.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.564 ' CE3' ' HE2' ' A' ' 40' ' ' LYS . 88.7 m95 -68.78 90.48 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.832 0.349 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.672 HD13 ' CD1' ' A' ' 110' ' ' TRP . 17.9 tp -90.62 159.99 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.605 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.0 m-85 -111.0 125.75 54.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -98.1 136.35 38.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 4.2 tt0 -105.12 129.97 53.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.98 141.05 28.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 t -104.33 39.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.53 141.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.09 -49.67 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.467 ' SD ' HD12 ' A' ' 37' ' ' LEU . 16.9 ptt? -163.28 142.29 8.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -88.52 34.66 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD12 ' SD ' ' A' ' 35' ' ' MET . 86.6 mt -83.97 158.34 21.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 30' ' ' GLN . 39.0 m95 -104.0 124.33 48.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -95.82 143.36 27.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.605 ' HG2' ' CE1' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -95.09 132.12 40.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 17.1 tpp180 -161.09 155.75 23.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.546 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 36.8 t-105 -76.19 128.11 34.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 16.2 m-85 -121.97 145.93 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 24' ' ' ARG . 43.1 t -136.24 134.14 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -100.91 99.25 9.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -141.71 155.57 45.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.3 OUTLIER 51.45 29.62 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.4 mm? 55.99 33.5 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 92.2 m -135.94 -179.27 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -114.06 128.27 56.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.506 ' CE1' ' CB ' ' A' ' 64' ' ' SER . 95.3 m-85 -136.98 139.6 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.476 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 2.5 p90 -134.98 159.13 42.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.678 ' CE2' HD13 ' A' ' 61' ' ' ILE . 13.9 m-85 -137.53 169.47 17.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -57.22 -36.69 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.52 178.11 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.4 -14.82 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -60.45 -22.0 62.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 30.9 mt-10 50.31 51.39 16.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -111.79 121.42 45.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.04 114.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.678 HD13 ' CE2' ' A' ' 53' ' ' TYR . 2.7 mm -67.43 152.33 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 61' ' ' ILE . 5.2 mt -115.5 -17.24 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.476 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 161.39 135.17 1.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.506 ' CB ' ' CE1' ' A' ' 51' ' ' PHE . 95.7 p -111.0 146.98 35.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 0.0 110.823 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.595 HG23 ' HE2' ' A' ' 70' ' ' PHE . 36.7 mt -119.48 123.44 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.13 110.07 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.8 mt -72.82 -41.77 7.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 66.1 Cg_exo -48.03 -23.79 4.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 66.3 m -94.52 -21.58 18.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.595 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.0 m-85 -85.0 159.61 20.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -123.52 106.74 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.0 mm -80.15 118.72 28.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.02 137.42 26.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 74' ' ' LEU . 4.0 mm? -46.47 141.24 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 14.3 mt -55.01 168.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 78' ' ' GLU . 1.6 t -137.27 171.41 14.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -61.0 -48.03 83.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' N ' HG23 ' A' ' 76' ' ' THR . 4.5 tm-20 -48.26 -30.96 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.811 ' OD2' HD12 ' A' ' 81' ' ' ILE . 13.2 t0 -54.91 -39.85 69.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.4 m170 62.45 25.03 14.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.811 HD12 ' OD2' ' A' ' 79' ' ' ASP . 34.5 mt -98.59 112.04 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -79.76 45.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.602 ' HB2' HG22 ' A' ' 81' ' ' ILE . 15.5 mmt180 -114.94 138.11 51.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -98.33 162.65 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 48.85 41.92 19.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.43 153.99 44.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -133.13 -177.04 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 5.6 pttp -140.44 143.91 35.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.81 120.21 37.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.21 139.9 30.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 24.8 t-80 -131.91 139.42 35.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.699 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.495 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.08 -50.13 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -89.55 8.64 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.513 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.0 mtp -147.16 -176.7 5.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -89.16 177.87 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -88.11 119.89 28.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.85 169.23 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.502 ' CE2' ' OD1' ' A' ' 79' ' ' ASP . 67.2 m-85 -145.1 129.71 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -129.5 143.63 50.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.427 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 16.0 p -138.84 156.0 47.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.608 HG21 ' O ' ' A' ' 106' ' ' GLU . 9.8 p -124.56 178.37 5.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.94 -45.26 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.8 t -140.06 -175.07 4.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.39 -49.45 77.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.554 ' HE3' HD21 ' A' ' 109' ' ' LEU . 24.7 tptt -51.29 -56.16 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.735 0.302 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.608 ' O ' HG21 ' A' ' 101' ' ' THR . 9.2 mm-40 -51.57 -21.94 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.7 ttt -89.93 -45.19 9.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.29 -34.87 71.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.554 HD21 ' HE3' ' A' ' 105' ' ' LYS . 84.4 mt -68.27 -33.26 74.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.672 ' CD1' HD13 ' A' ' 27' ' ' LEU . 16.5 m95 -80.15 -53.85 6.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 112' ' ' LYS . 12.3 mtp -52.49 -64.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 111' ' ' MET . 42.1 mmtt -34.41 -40.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.29 -63.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.44 ' HA ' HD13 ' A' ' 67' ' ' LEU . 30.5 mtt -43.22 -57.89 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -46.78 -34.39 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.72 -33.15 58.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -86.9 -9.55 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -99.14 -43.48 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 120' ' ' VAL . 0.8 OUTLIER -66.94 -24.45 66.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 119' ' ' LEU . 6.0 p -35.91 137.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -103.07 46.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.5 t -91.25 141.39 28.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.8 t -44.88 118.57 1.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -150.49 -96.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.87 128.14 13.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.5 t -91.79 81.17 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.1 m -67.58 119.24 12.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.749 0.229 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.36 127.43 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.182 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.3 -56.49 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -165.02 142.94 6.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' CB ' HG22 ' A' ' 44' ' ' VAL . 6.0 ptt-85 -135.74 127.78 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.525 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -158.15 173.86 35.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.479 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -80.01 102.73 9.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' A' ' 110' ' ' TRP . 34.7 tp -102.39 155.58 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -104.71 122.28 45.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.3 m95 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 130.54 56.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -82.63 122.73 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -148.17 167.02 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.525 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 52.4 t-105 -94.19 112.09 23.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -104.75 161.86 13.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.421 HG22 ' CB ' ' A' ' 24' ' ' ARG . 70.7 t -151.22 135.09 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -105.38 99.37 8.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t -149.83 145.26 26.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t70 63.36 39.42 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.471 ' O ' ' HB1' ' A' ' 117' ' ' ALA . 86.3 mt 47.23 29.97 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.1 m -138.7 176.64 8.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -114.1 134.64 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -142.55 135.6 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -137.97 161.73 35.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -141.28 169.6 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -46.62 -49.85 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -148.48 -175.09 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -52.93 -36.63 59.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -44.59 -29.92 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.431 ' HG2' ' CE1' ' A' ' 53' ' ' TYR . 21.3 mt-10 61.66 31.48 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -76.15 92.88 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.99 135.04 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.474 HG12 ' CE2' ' A' ' 53' ' ' TYR . 85.7 mt -85.89 131.19 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.44 -27.57 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.64 138.52 2.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 p -101.36 153.26 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.518 HG23 ' HE2' ' A' ' 70' ' ' PHE . 49.9 mt -130.26 122.96 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.18 111.14 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 12.7 mt -69.42 -43.31 22.93 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.9 Cg_exo -47.92 -24.78 5.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 25.8 m -92.43 -22.39 19.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 8.5 m-85 -85.18 153.4 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -115.74 108.11 15.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.406 ' HB ' HD11 ' A' ' 115' ' ' LEU . 4.9 mm -80.47 118.47 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.46 143.06 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.09 137.2 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.4 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.896 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.899 0.38 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -137.19 159.48 41.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -127.63 177.01 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HD2' HG21 ' A' ' 96' ' ' THR . 3.3 pttp -137.1 152.37 49.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -122.04 121.98 38.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.26 141.94 27.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 26.7 t-80 -134.87 140.36 34.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.56 -48.73 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -91.31 10.76 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.516 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.6 mtm -148.03 -175.66 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -90.51 -176.91 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.402 HG21 ' HD2' ' A' ' 88' ' ' LYS . 62.3 m -92.49 121.1 33.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.65 172.12 9.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -146.6 129.41 16.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -129.54 133.2 47.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.667 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 1.7 p -135.74 156.85 48.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.426 HG21 ' C ' ' A' ' 106' ' ' GLU . 45.3 p -124.25 -175.75 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.75 -41.09 18.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.7 p -128.35 -175.91 3.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.85 -39.3 65.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.802 ' CD ' HD11 ' A' ' 109' ' ' LEU . 4.7 tmmm? -61.05 -63.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.426 ' C ' HG21 ' A' ' 101' ' ' THR . 5.3 mm-40 -39.28 -27.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' LYS . 1.5 ttt -82.03 -42.27 19.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 105' ' ' LYS . 7.0 pt-20 -62.34 -36.23 81.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.802 HD11 ' CD ' ' A' ' 105' ' ' LYS . 28.5 mt -64.85 -33.98 77.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.492 ' CD1' HD13 ' A' ' 27' ' ' LEU . 18.8 m95 -80.8 -43.23 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.9 mmm -63.44 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 111' ' ' MET . 28.8 mmtp -34.85 -41.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -80.21 -66.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.422 ' HA ' HD13 ' A' ' 67' ' ' LEU . 23.7 mtt -36.85 -56.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 115' ' ' LEU . 3.5 mm? -49.87 -44.63 49.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.632 ' HA ' HD23 ' A' ' 119' ' ' LEU . 1.5 t70 -52.77 -26.01 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -95.52 -38.66 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.2 -53.04 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo . . . . . 0 C--O 1.232 0.2 0 CA-C-O 120.831 0.263 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.15 126.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.2 t -69.94 -60.08 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -160.95 137.73 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -126.62 124.37 39.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.51 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -160.3 165.3 34.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.486 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 87.4 m95 -77.34 95.1 4.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 110' ' ' TRP . 28.1 tp -95.45 144.19 26.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -90.66 132.97 35.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.8 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -100.69 149.23 24.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HE3' ' CG ' ' A' ' 26' ' ' TRP . 22.7 tptt -91.15 118.56 30.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -142.82 155.67 44.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 38.3 t-105 -85.54 113.8 22.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 34.0 m-85 -111.71 143.65 42.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.72 135.13 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -107.51 99.29 8.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 t -142.91 144.37 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t70 58.1 42.75 21.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.3 mt 45.85 44.38 10.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 10.4 t -151.52 162.01 41.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -102.31 134.19 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.428 ' CD1' HD13 ' A' ' 61' ' ' ILE . 76.0 m-85 -143.67 125.22 14.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.481 ' O ' HG23 ' A' ' 61' ' ' ILE . 18.5 p90 -124.41 164.79 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.587 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -140.44 178.55 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.968 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.548 ' HG3' HD21 ' A' ' 62' ' ' LEU . 51.6 mtt180 -57.38 -46.63 83.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.64 -179.94 7.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.12 -17.54 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -56.57 -25.28 51.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 60.13 40.4 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -94.83 98.7 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.14 134.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.587 HG12 ' CE2' ' A' ' 53' ' ' TYR . 99.3 mt -87.28 122.59 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.137 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.548 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -68.77 -35.1 76.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -168.09 141.52 6.87 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.7 p -104.9 150.26 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.556 HG23 ' HE2' ' A' ' 70' ' ' PHE . 48.1 mt -129.71 122.1 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.46 112.1 18.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.9 mt -68.74 -44.01 30.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.1 Cg_exo -48.0 -23.83 4.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t -92.69 -25.74 18.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.556 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.1 m-85 -82.9 162.17 21.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -126.39 109.52 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.424 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.9 mm -80.19 117.76 26.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.83 138.79 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 1.1 mm? -58.19 137.27 57.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.543 ' CD1' ' HA2' ' A' ' 104' ' ' GLY . 22.6 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.874 0.369 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.15 145.27 46.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 1.2 p90 -128.98 -179.56 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -144.58 147.16 32.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.35 128.72 55.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.54 141.79 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 30.1 t-80 -135.82 140.22 32.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.57 0.7 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.36 -48.84 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -90.12 10.24 25.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.475 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 42.7 mtm -148.51 -176.17 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -92.71 -177.17 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.9 m -89.26 126.81 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.53 162.48 13.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -134.36 126.36 29.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.519 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 35.7 m-85 -129.49 136.94 50.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.4 p -136.82 162.63 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.7 p -129.18 176.28 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -79.85 -38.25 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.4 p -135.36 162.6 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.543 ' HA2' ' CD1' ' A' ' 85' ' ' TYR . . . -54.12 -29.62 44.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.548 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -66.46 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.723 0.297 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 105' ' ' LYS . 7.0 mt-10 -43.16 -23.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 105' ' ' LYS . 2.4 ttt -85.87 -45.7 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -56.19 -36.44 68.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.548 HD11 ' CE ' ' A' ' 105' ' ' LYS . 65.0 mt -69.45 -48.81 59.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.709 ' CD1' HD13 ' A' ' 27' ' ' LEU . 13.5 m95 -61.17 -50.61 72.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.2 mmm -57.91 -63.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 111' ' ' MET . 22.4 mmmt -35.92 -42.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.78 -62.8 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.576 ' HA ' HD13 ' A' ' 67' ' ' LEU . 32.4 mtt -41.63 -54.84 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.456 ' HA ' HD13 ' A' ' 115' ' ' LEU . 3.5 mm? -53.04 -38.33 62.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.776 ' HA ' HD23 ' A' ' 119' ' ' LEU . 4.4 t70 -60.73 -29.52 69.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -89.34 -46.74 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.59 86.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.776 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.786 0.244 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -71.7 131.09 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.7 -56.09 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 ttm-85 -166.42 132.62 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.409 ' CB ' HG22 ' A' ' 44' ' ' VAL . 16.6 ptt-85 -122.97 124.61 43.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.85 163.12 33.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -69.22 100.79 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.587 HD13 ' CD1' ' A' ' 110' ' ' TRP . 59.6 tp -103.17 150.7 23.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.489 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 60.6 m-85 -97.97 148.95 22.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.7 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.811 0.338 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -95.91 134.22 39.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 13.9 tttp -77.32 137.05 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.405 ' NH2' ' O ' ' A' ' 54' ' ' ARG . 3.7 tpm_? -158.86 151.95 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -77.11 118.16 19.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 40.9 m-85 -114.17 157.0 23.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 24' ' ' ARG . 54.1 t -148.24 130.97 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.46 103.23 12.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 t -148.9 147.79 29.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t0 57.9 32.8 22.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.2 mt 54.98 33.94 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 t -142.22 152.39 43.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.75 129.74 41.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -131.46 125.01 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 14.3 p90 -125.66 151.7 46.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -133.47 -174.96 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.549 ' HG3' HD21 ' A' ' 62' ' ' LEU . 46.0 mtt180 -65.42 -44.64 86.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -149.26 -177.86 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.36 -12.29 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 58' ' ' GLU . 56.2 mttt -71.42 -15.84 62.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 57' ' ' LYS . 1.1 pp20? 34.56 50.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -89.79 25.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.66 116.08 0.94 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.408 HG12 ' CE2' ' A' ' 53' ' ' TYR . 96.4 mt -67.87 138.97 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.549 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.3 mt -95.01 -24.26 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -178.43 132.05 1.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.2 p -96.02 147.67 23.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.715 HG23 ' HE2' ' A' ' 70' ' ' PHE . 41.0 mt -123.92 124.52 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.1 mm? -83.53 108.98 17.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.8 mt -66.78 -44.13 51.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.58 0.705 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -48.02 -25.43 6.43 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 13.8 m -92.08 -24.82 19.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.715 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.3 m-85 -81.11 163.98 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 90' ' ' ALA . 5.0 tt0 -127.96 108.37 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.456 ' CG2' ' SD ' ' A' ' 111' ' ' MET . 3.3 mm -80.6 108.49 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.39 136.29 29.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mt -49.53 151.19 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.942 0.401 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.77 150.24 52.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 1.8 p90 -132.94 169.75 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 pttm -132.31 138.67 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -107.37 120.96 43.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 71' ' ' GLN . . . -94.94 131.8 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 25.4 t-80 -123.14 140.37 33.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.8 Cg_endo -74.48 -50.39 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -89.45 10.01 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.517 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.8 mtp -147.06 -177.46 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -86.8 -177.56 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -91.08 120.34 31.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -87.97 171.4 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -144.86 140.48 28.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.475 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 49.9 m-85 -138.36 159.83 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 15.0 p -162.5 161.43 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 106' ' ' GLU . 22.7 p -134.04 -178.34 4.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -76.95 -43.24 35.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -134.06 175.7 9.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.52 99.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.696 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -54.66 -64.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.926 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.42 ' O ' HG21 ' A' ' 101' ' ' THR . 7.2 mt-10 -47.52 -20.34 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.413 ' SD ' ' N ' ' A' ' 108' ' ' GLU . 1.1 tmt? -87.35 -48.34 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.413 ' N ' ' SD ' ' A' ' 107' ' ' MET . 5.3 pt-20 -55.76 -39.35 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.696 HD11 ' CE ' ' A' ' 105' ' ' LYS . 25.9 mt -60.18 -47.77 84.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.587 ' CD1' HD13 ' A' ' 27' ' ' LEU . 22.9 m95 -67.27 -46.79 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 87' ' ' PHE . 3.5 mmt -59.79 -62.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 111' ' ' MET . 5.8 mmmm -35.97 -43.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -77.82 -64.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.563 ' HA ' HD13 ' A' ' 67' ' ' LEU . 29.3 mtt -37.22 -53.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.432 ' CD2' HG21 ' A' ' 72' ' ' ILE . 3.8 mm? -53.57 -51.07 64.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.768 ' HA ' HD23 ' A' ' 119' ' ' LEU . 3.1 t70 -49.14 -31.56 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.513 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -86.05 -45.81 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.24 -54.28 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.768 HD23 ' HA ' ' A' ' 116' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.848 0.27 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.6 t -78.39 118.79 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.6 t -70.12 -51.22 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.6 ttt-85 -161.89 130.25 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' CB ' HG22 ' A' ' 44' ' ' VAL . 21.0 ptt180 -129.53 117.42 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.465 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -158.38 154.45 25.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -62.95 97.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.619 HD13 ' CD1' ' A' ' 110' ' ' TRP . 42.2 tp -94.27 162.07 14.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.476 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 33.7 m-85 -110.4 121.59 45.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 27.9 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.809 0.338 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -147.39 140.5 25.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -83.8 130.02 34.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 16.0 tpp180 -155.39 153.41 30.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 40.6 t-105 -84.49 108.44 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 25.4 m-85 -101.97 164.22 11.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' A' ' 24' ' ' ARG . 52.4 t -156.51 128.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.444 HD21 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -99.64 98.5 9.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 p -137.29 156.28 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.0 t70 40.75 49.0 2.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mt 40.66 48.76 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 4.9 t -151.86 169.63 21.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.5 mt -110.29 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 49' ' ' CYS . 81.1 m-85 -137.76 129.78 28.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.535 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 5.5 p90 -126.58 162.04 26.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -147.71 152.16 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HG3' HD21 ' A' ' 62' ' ' LEU . 36.1 mtt180 -38.96 -46.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -143.21 -178.43 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -65.2 -13.99 59.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -63.0 -30.31 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 57.44 44.43 21.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.04 -45.41 92.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.49 ' O ' HD23 ' A' ' 62' ' ' LEU . . . -159.42 118.09 0.81 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 53' ' ' TYR . 68.7 mt -53.56 125.54 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 60' ' ' GLY . 3.5 mt -81.83 -23.68 36.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.535 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 176.39 143.11 4.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 p -105.9 151.14 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.577 HG23 ' HE2' ' A' ' 70' ' ' PHE . 47.9 mt -127.03 122.99 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.49 110.13 16.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.671 HD13 ' HA ' ' A' ' 114' ' ' MET . 16.2 mt -69.85 -42.64 18.74 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.4 Cg_exo -47.97 -25.74 6.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.433 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 59.9 m -92.12 -23.52 19.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.577 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.9 m-85 -82.96 156.19 23.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -119.79 106.06 11.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.422 HG21 ' CD2' ' A' ' 115' ' ' LEU . 5.2 mm -80.26 116.7 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.96 141.64 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.03 133.68 55.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.552 ' CD1' ' HA2' ' A' ' 104' ' ' GLY . 94.8 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.911 0.386 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.01 147.62 34.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.4 p90 -128.86 -177.06 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -143.91 147.21 33.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.29 119.74 34.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.47 145.79 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 34.3 t-80 -139.83 140.05 23.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.579 0.704 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.2 Cg_endo -73.78 -48.87 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -89.81 10.14 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.483 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 45.0 mtm -147.52 -175.12 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.404 HH11 ' CB ' ' A' ' 95' ' ' ARG . 1.1 ptp180 -93.69 178.65 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.3 m -87.13 121.24 29.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -91.55 156.55 17.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -133.96 120.38 20.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -122.61 151.27 41.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 13.9 p -150.75 160.56 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.487 HG21 ' O ' ' A' ' 106' ' ' GLU . 25.6 p -125.49 -177.53 3.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.97 -44.56 20.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.0 p -131.33 162.38 30.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.552 ' HA2' ' CD1' ' A' ' 85' ' ' TYR . . . -50.94 -35.66 32.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.473 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -59.65 -64.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 101' ' ' THR . 8.4 mt-10 -46.26 -21.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -83.5 -45.98 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.24 -34.17 74.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.24 -40.05 82.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.619 ' CD1' HD13 ' A' ' 27' ' ' LEU . 11.7 m95 -76.53 -37.94 55.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 5.2 mtp -65.53 -61.88 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -38.91 -39.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HB1' ' HG ' ' A' ' 45' ' ' LEU . . . -77.06 -63.5 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.671 ' HA ' HD13 ' A' ' 67' ' ' LEU . 26.0 mtt -42.31 -54.23 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 115' ' ' LEU . 3.9 mm? -54.9 -39.55 68.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.01 -26.38 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.1 -2.74 28.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -102.78 -36.62 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.903 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.836 0.265 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.36 130.47 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -74.84 -52.0 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 ttp85 -172.27 131.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HB2' HG22 ' A' ' 44' ' ' VAL . 35.9 ptt180 -122.17 126.4 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.65 157.59 27.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.485 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 83.5 m95 -67.56 86.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.625 HD13 ' NE1' ' A' ' 110' ' ' TRP . 21.1 tp -86.71 156.35 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 40' ' ' LYS . 72.4 m-85 -92.75 140.72 29.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HE3' ' CE2' ' A' ' 97' ' ' TYR . 7.3 tptm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CE3' ' SG ' ' A' ' 100' ' ' CYS . 80.0 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -122.4 137.79 54.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 28' ' ' TYR . 8.3 tptm -88.77 117.41 27.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -137.31 169.53 17.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.485 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 43.3 t-105 -95.23 116.57 28.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -111.67 148.14 34.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.573 HG22 ' HB2' ' A' ' 24' ' ' ARG . 57.0 t -138.6 115.76 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -90.47 100.42 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -148.81 154.21 39.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t70 53.06 45.07 29.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt 41.45 42.24 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.2 m -151.32 173.12 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.5 mt -112.67 137.39 51.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -147.66 122.36 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.4 p90 -121.65 153.87 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.519 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -132.74 174.65 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -55.14 -46.28 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -156.14 -178.08 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -50.68 -23.57 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -55.66 -28.16 53.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 54.85 49.65 17.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -98.61 96.08 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.64 121.74 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.519 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 78.1 mt -71.63 131.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -80.16 -26.72 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.494 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 178.19 130.15 1.37 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.539 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.8 p -95.81 151.93 18.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.602 HG23 ' HE2' ' A' ' 70' ' ' PHE . 45.2 mt -131.24 127.98 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.172 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.55 112.37 22.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 16.4 mt -71.28 -42.62 11.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.625 0.726 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.8 Cg_exo -47.95 -23.69 4.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.5 m -93.23 -27.31 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.602 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.4 m-85 -77.37 168.41 20.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -130.56 108.64 10.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.462 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.5 mm -80.05 114.16 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.47 135.81 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mt -49.99 150.01 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 69.6 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 104' ' ' GLY . 70.5 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.928 0.394 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.9 158.31 33.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.588 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -133.8 -177.67 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 36.1 pttt -144.46 138.64 27.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.14 122.75 48.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.29 145.95 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 22.7 t-80 -135.19 140.52 34.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.44 -49.47 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -91.23 11.73 22.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.522 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 23.9 mtp -148.17 -175.45 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -89.95 -178.69 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.3 m -90.14 118.6 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.42 ' CE2' ' HE3' ' A' ' 29' ' ' LYS . 2.8 m-85 -87.81 163.01 16.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -138.35 129.43 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -129.14 136.68 50.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.592 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 20.3 p -134.59 162.15 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.671 HG21 ' O ' ' A' ' 106' ' ' GLU . 1.5 p -136.28 -175.51 4.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.179 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.3 -42.68 75.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 1.1 t -155.35 174.32 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.556 ' N ' ' CD1' ' A' ' 85' ' ' TYR . . . -44.31 -48.08 8.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.607 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -52.42 -64.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.671 ' O ' HG21 ' A' ' 101' ' ' THR . 5.5 mm-40 -49.75 -18.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.92 -42.56 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 5.0 pt-20 -59.28 -45.09 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.607 HD11 ' CE ' ' A' ' 105' ' ' LYS . 41.1 mt -55.0 -37.04 66.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.625 ' NE1' HD13 ' A' ' 27' ' ' LEU . 28.1 m95 -79.43 -51.55 9.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 112' ' ' LYS . 7.6 mtp -53.88 -65.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 111' ' ' MET . 28.0 mmtt -34.28 -39.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.56 -60.76 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.579 ' HA ' HD13 ' A' ' 67' ' ' LEU . 36.3 mtt -43.78 -51.87 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 119' ' ' LEU . 3.0 mm? -55.38 -37.43 67.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -24.89 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.6 -18.79 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.55 -48.85 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.778 HD22 ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.849 0.27 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.68 123.3 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.31 -49.17 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -171.09 140.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.454 ' CB ' HG22 ' A' ' 44' ' ' VAL . 17.4 ptt180 -130.46 123.06 28.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.93 160.17 29.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -73.72 89.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' CD1' ' A' ' 110' ' ' TRP . 18.1 tp -87.39 153.86 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -100.38 129.3 46.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.9 m95 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -104.11 138.45 40.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -83.05 134.36 35.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -157.78 149.91 22.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.6 t-105 -76.87 105.53 8.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 41.5 m-85 -102.97 140.37 37.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.454 HG22 ' CB ' ' A' ' 24' ' ' ARG . 77.5 t -131.39 137.13 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.57 99.85 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 p -141.82 155.46 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 48' ' ' LEU . 7.4 t70 44.96 54.86 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ASP . 2.4 mm? 35.81 40.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 72.0 m -147.29 178.33 8.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.6 mt -114.15 133.81 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -137.5 127.0 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 19.3 p90 -129.45 159.11 37.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.556 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -140.02 178.62 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.479 ' HG3' HD21 ' A' ' 62' ' ' LEU . 54.6 mtt180 -53.89 -49.47 68.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -153.67 -176.25 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.71 -30.35 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -49.11 -19.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 47.51 50.67 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -104.19 105.0 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.08 123.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.613 HG22 ' H ' ' A' ' 63' ' ' GLY . 91.4 mt -78.34 134.79 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.479 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -86.64 -15.79 38.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.613 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 172.31 137.5 2.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.3 p -104.41 145.7 29.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.916 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.69 HG23 ' HE2' ' A' ' 70' ' ' PHE . 39.9 mt -120.71 125.65 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.12 110.83 19.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.9 mt -68.6 -43.82 31.23 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 110.95 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.8 Cg_exo -47.96 -27.01 8.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 t -90.63 -23.9 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.69 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.4 m-85 -83.04 159.08 22.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -122.72 107.1 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mm -80.06 117.2 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.18 135.11 20.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -52.92 143.41 17.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.906 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.458 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -131.91 165.12 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.484 ' HB3' ' HE1' ' A' ' 111' ' ' MET . 2.3 p90 -142.33 -178.04 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HD2' HG21 ' A' ' 96' ' ' THR . 12.6 pttm -143.3 153.79 43.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.51 122.83 36.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.89 147.2 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 48.5 t-80 -139.36 139.84 23.97 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.598 0.714 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.6 Cg_endo -73.15 -49.25 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -91.41 15.76 11.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.502 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 32.9 mtm -153.51 -175.03 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -92.98 -176.38 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.441 HG21 ' HD2' ' A' ' 88' ' ' LYS . 35.2 m -91.2 124.13 35.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.55 164.41 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -138.24 141.41 39.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -143.18 137.42 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.458 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 3.4 p -137.89 159.12 42.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 106' ' ' GLU . 34.1 p -130.8 179.96 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.68 -42.82 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.7 p -140.01 173.86 11.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.31 -36.17 74.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.541 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.588 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -59.25 -64.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.408 ' O ' HG21 ' A' ' 101' ' ' THR . 6.6 mm-40 -47.76 -19.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.43 -45.2 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.86 -38.66 79.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.588 HD11 ' CE ' ' A' ' 105' ' ' LYS . 34.3 mt -61.91 -35.58 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.606 ' CD1' HD13 ' A' ' 27' ' ' LEU . 19.8 m95 -80.33 -52.41 7.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.484 ' HE1' ' HB3' ' A' ' 87' ' ' PHE . 8.4 mtp -55.9 -65.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' MET . 45.7 mmtm -34.62 -39.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.52 -43.57 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.058 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.528 ' HA ' HD13 ' A' ' 67' ' ' LEU . 26.3 mtt -59.08 -54.42 47.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 115' ' ' LEU . 3.4 mm? -53.56 -33.72 55.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.705 ' HA ' HD23 ' A' ' 119' ' ' LEU . 3.3 t70 -63.44 -36.13 82.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -84.33 -50.77 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.03 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.705 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.1 pp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo . . . . . 0 N--CA 1.465 -0.154 0 CA-C-O 120.82 0.258 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.6 t -98.41 124.25 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.3 -54.19 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.467 HH21 HD22 ' A' ' 109' ' ' LEU . 18.1 tpp180 -166.66 154.94 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.461 ' HB3' HG22 ' A' ' 44' ' ' VAL . 42.4 ptt85 -141.89 114.62 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.78 150.51 22.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.449 ' CG ' ' HE3' ' A' ' 40' ' ' LYS . 91.0 m95 -57.85 96.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.775 HD13 ' CD1' ' A' ' 110' ' ' TRP . 24.2 tp -91.76 153.35 19.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -104.4 113.96 27.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.891 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.4 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.897 0.38 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -109.64 148.54 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.449 ' HE3' ' CG ' ' A' ' 26' ' ' TRP . 28.3 tptt -97.44 120.84 38.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttp-105 -154.88 166.83 32.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -83.53 128.74 34.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 35.2 m-85 -128.83 135.22 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 24' ' ' ARG . 31.3 t -128.62 134.4 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -101.99 99.39 9.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 p -138.13 156.82 47.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.6 t70 43.12 45.24 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mp 43.79 44.14 5.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.8 t -145.77 166.09 26.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.85 126.15 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -128.27 140.33 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 4.5 p90 -136.46 150.04 48.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -136.83 150.64 48.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.839 ' HG3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -33.18 -36.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 0.9 OUTLIER -168.93 177.71 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -44.28 -32.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -41.08 -28.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 30.1 mt-10 60.26 41.81 16.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 60' ' ' GLY . 7.6 mt-10 -75.61 -176.27 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -34.89 103.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 53' ' ' TYR . 56.6 mt -40.5 134.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 111.14 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.839 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.7 mt -84.67 -31.16 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -178.4 147.27 7.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.0 p -107.35 161.55 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.614 HG23 ' HE2' ' A' ' 70' ' ' PHE . 52.1 mt -135.49 123.25 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.07 115.14 21.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 20.6 mt -76.77 -42.04 2.81 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.603 0.716 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -47.96 -24.52 5.32 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.9 p -94.18 -22.17 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.614 ' HE2' HG23 ' A' ' 65' ' ' ILE . 8.3 m-85 -83.15 157.78 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -121.11 106.47 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 mm -80.17 119.04 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.95 134.29 18.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mt -43.56 146.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.488 HD21 ' C ' ' A' ' 87' ' ' PHE . 42.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.902 0.382 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -144.33 161.4 39.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' C ' HD21 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -143.84 -177.83 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.2 pttp -142.51 145.23 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -117.22 117.1 28.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.11 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.79 144.21 25.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 17.2 t-80 -131.89 140.58 38.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.65 -45.65 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -96.9 11.03 37.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.528 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.0 mtp -148.01 -177.8 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -84.39 -175.95 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.478 HG22 ' CE1' ' A' ' 98' ' ' TYR . 98.9 m -99.53 119.75 38.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.413 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 2.8 m-85 -87.82 168.41 12.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.478 ' CE1' HG22 ' A' ' 96' ' ' THR . 28.8 m-85 -145.99 127.45 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -126.86 152.79 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 17.5 p -147.62 159.95 43.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.642 HG21 ' O ' ' A' ' 106' ' ' GLU . 50.8 p -127.39 -175.09 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.38 -44.33 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.0 p -131.06 171.58 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.55 -40.24 77.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.594 ' HE2' HD11 ' A' ' 109' ' ' LEU . 21.1 tptm -55.47 -61.96 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.298 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.642 ' O ' HG21 ' A' ' 101' ' ' THR . 11.5 mm-40 -49.5 -20.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 6.5 ttt -89.31 -38.56 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -69.0 -35.16 76.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.594 HD11 ' HE2' ' A' ' 105' ' ' LYS . 82.3 mt -67.28 -40.6 86.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.775 ' CD1' HD13 ' A' ' 27' ' ' LEU . 20.7 m95 -76.06 -47.83 23.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 112' ' ' LYS . 11.8 mmm -60.06 -62.66 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' MET . 14.6 mmtp -34.8 -42.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.65 -63.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.494 ' HA ' HD13 ' A' ' 67' ' ' LEU . 27.0 mtt -39.06 -55.74 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.65 -38.62 60.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.65 -38.78 73.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.55 -17.03 49.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 114' ' ' MET . . . -90.27 -44.81 9.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.842 0.268 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.9 t -94.11 122.14 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.26 -52.78 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 23' ' ' ARG . 17.7 ttm105 -167.42 140.24 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -130.67 127.3 38.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.41 160.08 31.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.517 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 92.5 m95 -72.96 90.12 1.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.83 0.347 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.633 HD13 ' CD1' ' A' ' 110' ' ' TRP . 35.2 tp -85.9 161.66 18.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 50.0 m-85 -111.33 128.02 55.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.895 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.9 m95 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.816 0.341 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -124.56 146.1 49.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -89.0 125.64 35.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -149.7 157.83 43.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 33.3 t-105 -88.93 106.5 18.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 14.1 m-85 -101.2 151.89 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -144.98 132.25 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.04 101.29 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -139.4 145.68 39.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 49.03 49.18 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.3 mt 40.59 44.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.8 t -148.7 163.2 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.5 mt -101.0 135.94 41.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -142.05 122.29 13.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.485 ' CE2' ' O ' ' A' ' 63' ' ' GLY . 31.7 p90 -124.43 148.07 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -126.68 -178.31 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 ptt85 -76.67 -22.93 53.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -163.95 174.53 11.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.71 -8.03 5.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -69.24 -21.36 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . 28.5 mt-10 48.56 53.42 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -107.23 70.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.67 106.79 2.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 96.0 mt -65.63 130.12 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.27 -30.19 57.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.485 ' O ' ' CE2' ' A' ' 52' ' ' TYR . . . -177.31 137.85 3.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.434 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -102.03 147.83 26.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.666 HG23 ' HE2' ' A' ' 70' ' ' PHE . 48.4 mt -124.87 122.27 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.33 111.0 16.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.6 mt -69.94 -43.04 19.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.6 Cg_exo -47.95 -24.07 4.87 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 62.4 m -93.97 -22.47 18.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.666 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.1 m-85 -83.73 162.36 20.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.53 108.24 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.459 HG21 ' CD2' ' A' ' 115' ' ' LEU . 3.9 mm -80.28 114.41 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.63 135.72 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.47 134.26 50.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.842 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.917 0.389 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 99' ' ' PHE . . . -126.28 169.85 12.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -135.1 -177.79 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -142.38 150.86 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.49 119.27 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.27 141.9 28.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.062 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 24.2 t-80 -134.11 140.33 35.83 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.633 0.73 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.38 -49.25 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -91.18 9.79 29.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.524 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 28.8 mtp -147.7 -176.54 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -89.63 179.95 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.0 m -90.74 121.0 32.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -87.76 163.71 16.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -139.56 127.12 21.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.441 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 9.1 m-85 -129.24 147.7 51.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 86' ' ' ALA . 8.3 p -144.11 162.72 35.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.496 HG21 ' O ' ' A' ' 106' ' ' GLU . 36.5 p -130.34 -177.57 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -42.51 24.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -136.79 175.95 9.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.79 -37.59 90.57 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -58.57 -64.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.496 ' O ' HG21 ' A' ' 101' ' ' THR . 5.2 mm-40 -45.4 -21.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.7 ttt -87.38 -47.81 8.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.11 -28.8 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.474 ' HB3' ' NE ' ' A' ' 23' ' ' ARG . 67.9 mt -74.64 -32.11 62.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.633 ' CD1' HD13 ' A' ' 27' ' ' LEU . 12.4 m95 -82.45 -43.42 17.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.8 mtp -63.75 -61.84 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' MET . 7.3 mmmm -37.52 -41.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.24 -61.4 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.439 ' HA ' HD13 ' A' ' 67' ' ' LEU . 22.9 mtt -43.03 -56.41 3.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.0 mm? -50.9 -39.98 55.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.708 ' HA ' HD23 ' A' ' 119' ' ' LEU . 1.9 t70 -57.9 -33.51 68.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.73 -47.84 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.31 -54.58 41.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.708 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 C--O 1.232 0.208 0 CA-C-O 120.829 0.262 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -98.34 125.74 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.84 -57.29 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -169.53 134.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.696 ' HB3' HG22 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -122.79 132.38 54.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.19 152.12 22.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.406 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 78.9 m95 -61.42 98.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.332 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.751 HD13 ' CD1' ' A' ' 110' ' ' TRP . 22.0 tp -102.14 154.83 18.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -105.35 145.71 30.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.2 m95 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.781 0.324 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -100.15 151.39 21.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -95.91 114.83 26.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mmt-85 -141.7 144.15 33.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.408 ' O ' ' CB ' ' A' ' 52' ' ' TYR . 23.0 t-105 -69.47 131.21 44.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 36.9 m-85 -126.8 137.0 53.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.696 HG22 ' HB3' ' A' ' 24' ' ' ARG . 55.9 t -131.58 129.21 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.05 100.27 11.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.87 153.29 40.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t70 54.47 34.95 22.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 117' ' ' ALA . 2.1 mm? 52.01 37.2 20.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 t -146.44 163.61 35.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -99.03 126.9 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -132.11 125.45 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 29.6 p90 -128.3 158.78 37.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -135.33 -177.75 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.94 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -63.44 -30.68 71.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -165.81 178.72 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -50.78 -30.72 14.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -27.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 27.3 mt-10 56.09 43.69 26.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -103.19 95.72 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.45 113.76 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.422 HG12 ' CE2' ' A' ' 53' ' ' TYR . 96.6 mt -76.49 125.12 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 62' ' ' LEU . 1.1 mt -72.46 -30.9 64.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -179.11 140.08 4.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.427 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.4 p -98.62 152.95 19.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.606 HG23 ' HE2' ' A' ' 70' ' ' PHE . 51.4 mt -130.9 124.46 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.11 115.76 21.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.624 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.1 mt -73.74 -43.34 6.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.5 Cg_exo -47.96 -25.14 5.95 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 p -92.16 -23.84 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.606 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.3 m-85 -84.51 148.52 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -111.2 109.59 19.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.5 mm -80.2 117.17 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.25 137.03 20.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.26 142.58 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.403 HD23 ' HG2' ' A' ' 88' ' ' LYS . 86.2 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.938 0.399 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -132.23 169.7 16.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.1 p90 -141.51 -177.22 5.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.403 ' HG2' HD23 ' A' ' 75' ' ' LEU . 34.9 pttt -145.84 138.69 25.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.488 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -110.77 120.22 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.81 144.77 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 19.8 t-80 -129.79 140.3 38.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.0 Cg_endo -73.37 -46.56 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -95.62 9.79 39.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.524 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.8 mtp -147.82 -179.88 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -82.7 -175.21 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.8 m -96.89 122.65 40.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -88.18 168.24 12.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.7 138.55 32.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -143.5 138.2 29.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 8.3 p -133.74 162.03 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.43 HG21 ' C ' ' A' ' 106' ' ' GLU . 48.5 p -127.3 -175.38 3.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.61 -40.74 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -131.24 170.3 14.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.42 -46.72 79.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.758 ' HD2' HD21 ' A' ' 109' ' ' LEU . 7.8 tppt? -53.23 -64.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.43 ' C ' HG21 ' A' ' 101' ' ' THR . 13.0 mt-10 -40.24 -26.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' LYS . 2.3 ttt -87.24 -40.67 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.6 pt-20 -64.65 -39.47 93.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.758 HD21 ' HD2' ' A' ' 105' ' ' LYS . 31.2 mt -66.03 -39.37 90.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.751 ' CD1' HD13 ' A' ' 27' ' ' LEU . 11.2 m95 -74.33 -41.71 60.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.439 ' HE3' ' HB3' ' A' ' 87' ' ' PHE . 6.0 mtt -66.09 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' MET . 19.8 mmmt -37.23 -41.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -77.03 -63.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.572 ' HA ' HD13 ' A' ' 67' ' ' LEU . 23.1 mtt -38.3 -50.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 115' ' ' LEU . 3.8 mm? -57.5 -37.43 72.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.609 ' HA ' HD23 ' A' ' 119' ' ' LEU . 5.9 t0 -54.17 -43.54 70.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -82.69 -50.5 8.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.64 -47.06 58.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.6 pp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.809 0.254 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -112.05 124.22 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.81 -59.89 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -161.76 142.02 10.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.58 ' HB2' HG22 ' A' ' 44' ' ' VAL . 10.0 ptp180 -132.34 122.88 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.79 168.9 31.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -81.51 99.22 8.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.539 HD13 ' CD1' ' A' ' 110' ' ' TRP . 23.6 tp -99.63 149.14 23.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -94.4 127.16 40.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 tttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 85.5 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -118.61 141.1 48.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -86.21 135.2 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -159.36 142.16 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 26.5 t-105 -72.49 119.89 17.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -115.46 151.89 33.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 24' ' ' ARG . 53.3 t -143.19 132.65 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.55 105.94 16.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -141.84 151.59 42.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 t70 43.51 37.74 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.618 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.8 mm? 52.51 41.68 31.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.583 ' SG ' ' CZ ' ' A' ' 51' ' ' PHE . 46.4 t -142.42 154.45 44.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.3 mt -94.31 130.48 40.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.583 ' CZ ' ' SG ' ' A' ' 49' ' ' CYS . 56.1 m-85 -141.73 131.61 24.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.7 p90 -131.99 164.71 25.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -144.64 160.19 41.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.51 ' HG3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -41.2 -44.53 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -147.42 -175.33 4.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.9 pt-20 -66.14 -12.48 56.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -54.44 -23.96 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.05 53.89 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -121.89 103.27 8.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.05 119.26 0.1 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.471 HG12 ' CE2' ' A' ' 53' ' ' TYR . 80.7 mt -79.97 129.77 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.51 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -81.11 -28.69 35.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -179.41 130.65 1.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -98.54 148.18 24.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.655 HG23 ' HE2' ' A' ' 70' ' ' PHE . 38.9 mt -125.87 123.34 63.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.24 110.6 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.0 mt -70.15 -42.21 16.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.6 Cg_exo -47.94 -25.18 5.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.435 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 10.7 m -92.67 -25.58 18.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.655 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.3 m-85 -79.9 162.13 25.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -123.82 106.98 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.418 HG21 ' CD2' ' A' ' 115' ' ' LEU . 4.8 mm -80.84 115.03 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.42 139.63 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -51.28 135.03 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 50.2 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.888 0.375 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -125.2 164.73 19.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -134.47 175.67 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.436 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.2 pttp -134.89 151.35 50.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.24 119.95 32.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.07 137.76 32.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 13.5 t-80 -125.07 140.75 36.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.532 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.76 -49.18 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -92.04 6.64 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.51 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 26.3 mtp -144.44 -178.93 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -175.0 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.6 m -93.85 120.82 34.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -87.79 169.88 11.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -141.76 139.57 32.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -143.5 138.14 29.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.66 161.78 33.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.436 HG21 ' O ' ' A' ' 106' ' ' GLU . 41.0 p -127.62 -175.13 3.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -87.43 -38.24 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.2 p -139.73 178.62 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.06 -32.78 85.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.52 ' HZ2' HD11 ' A' ' 109' ' ' LEU . 13.3 tptp -65.84 -62.2 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.436 ' O ' HG21 ' A' ' 101' ' ' THR . 5.0 mm-40 -46.36 -20.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.3 ttt -88.02 -41.56 13.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -64.38 -40.67 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.52 HD11 ' HZ2' ' A' ' 105' ' ' LYS . 30.9 mt -62.55 -34.79 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.539 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.9 m95 -79.68 -44.67 20.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' LYS . 8.0 mtp -62.43 -63.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' MET . 15.1 mmtp -36.64 -42.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -78.32 -62.66 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.522 ' HA ' HD13 ' A' ' 67' ' ' LEU . 37.5 mtt -39.78 -56.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 115' ' ' LEU . 4.0 mm? -51.64 -36.22 45.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.771 ' HA ' HD23 ' A' ' 119' ' ' LEU . 3.7 t70 -56.59 -33.6 66.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.474 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -87.32 -48.28 8.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.53 -47.87 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.818 0.257 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.5 t -79.71 124.22 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.7 t -63.43 -51.59 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 109' ' ' LEU . 5.2 ttp-105 -173.68 140.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.547 ' CB ' HG22 ' A' ' 44' ' ' VAL . 8.2 ptt85 -126.6 124.44 39.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.67 158.77 28.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -70.81 97.02 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' CD1' ' A' ' 110' ' ' TRP . 13.6 tp -96.79 141.14 30.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -88.3 141.17 28.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 179.9 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.441 ' C ' ' HE2' ' A' ' 39' ' ' LYS . 44.2 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HE2' ' C ' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -97.98 147.7 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -82.2 136.29 35.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -157.99 147.33 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -81.38 106.87 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 22.0 m-85 -104.85 138.96 40.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.547 HG22 ' CB ' ' A' ' 24' ' ' ARG . 45.9 t -130.39 131.52 65.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -98.27 101.47 12.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -140.77 152.79 45.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 43.6 53.51 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 36.41 49.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 86.7 m -151.74 175.98 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.5 mt -117.4 136.83 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -141.86 135.96 30.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -133.53 146.42 51.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -131.05 168.01 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.777 ' HG3' HD21 ' A' ' 62' ' ' LEU . 89.3 mtt180 -49.28 -46.87 46.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -153.4 -179.78 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -55.2 -16.17 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -58.81 -11.19 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 40.97 51.38 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -112.66 114.08 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.71 113.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.522 HG12 ' CE2' ' A' ' 53' ' ' TYR . 69.2 mt -75.9 130.08 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.777 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -77.91 -24.83 48.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.92 144.34 5.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.9 p -107.16 146.37 31.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.571 HG23 ' HE2' ' A' ' 70' ' ' PHE . 45.1 mt -120.87 124.95 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.85 109.38 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.603 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.7 mt -66.61 -44.26 54.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.586 0.708 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.7 Cg_exo -47.95 -25.04 5.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.429 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 30.5 m -92.51 -21.78 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.571 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.9 m-85 -85.46 164.64 17.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -126.93 107.53 10.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -80.24 112.73 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.28 137.79 22.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -50.11 152.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.8 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.94 147.48 42.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -127.16 -176.17 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -143.45 148.53 36.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.39 119.91 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.54 136.35 33.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 16.7 t-80 -124.37 140.62 35.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -73.95 -48.37 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -93.21 9.31 36.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.523 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.5 mtp -146.52 179.55 7.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 95' ' ' ARG . 3.5 ptm85 -83.0 -175.87 6.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.0 m -94.0 120.87 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -87.79 161.78 17.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -133.94 127.62 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -128.5 140.92 51.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 13.0 p -136.01 162.01 34.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.6 p -133.44 -177.64 4.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.1 -44.71 25.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.8 t -143.68 -175.12 4.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.79 -42.08 97.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.462 ' HE2' HD21 ' A' ' 109' ' ' LEU . 22.1 tptm -53.83 -64.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.303 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -47.59 -23.7 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.8 ttp -85.71 -40.73 15.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.98 -33.36 74.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.462 HD21 ' HE2' ' A' ' 105' ' ' LYS . 71.4 mt -69.7 -32.09 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.606 ' CD1' HD13 ' A' ' 27' ' ' LEU . 17.1 m95 -84.99 -43.67 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' LYS . 3.5 mtt -59.16 -67.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' MET . 1.4 mmpt? -34.31 -45.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.27 -63.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.483 ' HA ' HD13 ' A' ' 67' ' ' LEU . 26.5 mtt -41.69 -54.71 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 115' ' ' LEU . 3.8 mm? -52.95 -38.45 62.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.721 ' HA ' HD23 ' A' ' 119' ' ' LEU . 4.5 t0 -55.43 -42.16 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.61 -52.19 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.24 -50.87 48.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.721 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.6 pp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.864 0.277 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -52.97 128.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -72.96 -50.66 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -173.08 143.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -132.64 131.42 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.59 157.97 29.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.475 ' HB3' ' CE ' ' A' ' 40' ' ' LYS . 87.3 m95 -66.32 101.2 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.755 HD13 ' CD1' ' A' ' 110' ' ' TRP . 30.2 tp -100.41 161.2 13.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.606 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 6.1 m-30 -107.3 121.1 43.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 32.3 m95 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 1.3 mptp? -96.25 119.86 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.606 ' HG2' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -73.26 130.25 39.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -153.17 173.0 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 30.0 t-105 -90.28 129.81 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.526 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 21.0 m-85 -123.63 158.47 31.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -150.23 135.42 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -104.65 98.15 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -138.46 156.25 47.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.02 32.7 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.4 mt 54.71 34.53 21.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 60.1 m -138.82 177.18 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -108.27 135.39 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -144.15 127.09 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 17.6 p90 -128.13 159.85 33.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.583 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -141.75 162.79 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.929 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -41.15 -49.73 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.78 -177.15 5.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.61 -18.42 11.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -59.46 -14.23 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 45.36 50.84 9.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.56 91.2 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.23 128.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 53' ' ' TYR . 94.1 mt -81.78 130.17 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -80.07 -29.05 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.41 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -173.82 141.56 6.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 p -108.75 150.26 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.598 HG23 ' HE2' ' A' ' 70' ' ' PHE . 44.0 mt -129.54 131.26 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.74 111.33 21.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.654 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 32.8 mt -72.81 -41.14 6.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.654 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 63.8 Cg_exo -47.92 -25.93 6.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 25.1 m -93.45 -25.49 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.598 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.3 m-85 -79.65 154.09 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -119.18 110.15 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.451 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.4 mm -80.2 120.17 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.57 135.99 21.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.79 135.04 51.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.445 HD23 ' HG2' ' A' ' 88' ' ' LYS . 84.0 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.925 0.393 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -127.82 162.64 26.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.3 p90 -131.42 -177.17 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HG2' HD23 ' A' ' 75' ' ' LEU . 20.1 pttt -144.89 152.18 39.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.96 122.02 37.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.6 142.41 27.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 16.8 t-80 -132.13 139.62 35.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.731 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.63 -50.08 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -89.61 5.25 46.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.496 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 22.5 mtp -144.12 -176.97 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -88.64 -177.35 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.2 m -92.57 125.22 37.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -91.37 172.46 8.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 88' ' ' LYS . 56.8 m-85 -146.65 138.97 24.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -141.11 148.57 40.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 1.8 p -145.42 159.52 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.602 HG21 ' O ' ' A' ' 106' ' ' GLU . 9.1 p -129.32 178.16 6.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -46.76 58.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.6 p -131.05 179.24 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.64 99.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.542 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' CD ' HD11 ' A' ' 109' ' ' LEU . 3.4 tmmm? -58.01 -61.11 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.602 ' O ' HG21 ' A' ' 101' ' ' THR . 23.6 mt-10 -46.89 -20.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.45 -41.13 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 4.5 pt-20 -61.65 -46.3 90.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 108' ' ' GLU . 15.3 mt -52.36 -38.35 58.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.755 ' CD1' HD13 ' A' ' 27' ' ' LEU . 14.1 m95 -78.13 -48.1 16.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 112' ' ' LYS . 16.3 mtp -58.88 -61.5 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 111' ' ' MET . 26.9 mmtm -38.07 -39.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.18 -61.92 1.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 41.0 mtt -42.9 -57.8 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -46.23 -34.09 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -78.46 -31.68 48.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.415 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -84.89 -15.07 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -93.64 -47.39 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.864 0.277 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.19 130.17 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.0 t -72.23 -50.03 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.431 ' HD2' HD13 ' A' ' 109' ' ' LEU . 16.3 ttp85 -174.94 136.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -124.26 129.33 50.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.39 153.46 24.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.447 ' CD2' ' HE3' ' A' ' 40' ' ' LYS . 96.7 m95 -61.69 100.85 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.62 HD13 ' CD1' ' A' ' 110' ' ' TRP . 24.2 tp -100.47 146.01 27.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -94.9 136.98 34.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.419 ' C ' ' HE3' ' A' ' 39' ' ' LYS . 62.7 m95 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.83 0.347 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -95.91 165.87 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HE3' ' CD2' ' A' ' 26' ' ' TRP . 35.9 tptt -116.96 125.85 52.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 54' ' ' ARG . 1.6 tpm_? -156.79 155.01 30.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.504 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 55.3 t-105 -80.11 123.45 27.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -115.8 164.01 15.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.1 t -152.19 136.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.35 99.27 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 t -142.64 151.14 41.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.08 38.6 24.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.8 mt 49.67 38.82 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 6.3 t -143.39 169.4 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -109.45 132.98 53.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 49' ' ' CYS . 78.8 m-85 -142.1 135.45 29.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE2' ' O ' ' A' ' 63' ' ' GLY . 19.9 p90 -133.64 161.45 34.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -143.93 158.95 43.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.517 ' HG3' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -35.76 -50.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -145.53 176.08 9.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 7.4 pt-20 -52.06 -24.89 7.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -49.29 -23.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.406 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 57.1 mt-10 60.9 40.97 14.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -92.3 101.61 14.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.64 133.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.648 HG22 ' H ' ' A' ' 63' ' ' GLY . 94.6 mt -84.81 131.29 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.517 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -85.44 -12.3 52.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.648 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 167.98 135.53 1.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.4 p -104.62 151.22 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.639 HG23 ' HE2' ' A' ' 70' ' ' PHE . 49.2 mt -130.7 127.73 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.46 110.9 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.672 HD13 ' HA ' ' A' ' 114' ' ' MET . 12.0 mt -69.0 -43.74 26.74 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.3 Cg_exo -47.99 -26.87 8.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.44 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 50.8 m -91.18 -21.21 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.639 ' HE2' HG23 ' A' ' 65' ' ' ILE . 8.8 m-85 -86.59 152.8 22.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -116.81 108.69 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.498 HG21 ' CD2' ' A' ' 115' ' ' LEU . 5.9 mm -80.08 120.05 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.83 133.95 16.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.55 137.89 18.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.414 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 2.0 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.885 0.374 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.48 ' HB2' ' CB ' ' A' ' 100' ' ' CYS . . . -147.97 158.89 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -136.84 178.15 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -133.91 154.1 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.5 122.64 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.03 142.67 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 49.7 t-80 -137.98 140.0 27.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.5 Cg_endo -73.3 -50.28 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -90.4 15.65 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.53 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.8 mtm -152.31 -174.99 5.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.33 -177.52 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.3 m -88.94 126.96 35.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 3.0 m-85 -96.57 171.87 8.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 33.3 m-85 -146.39 133.25 20.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -138.11 141.31 40.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 86' ' ' ALA . 11.5 p -131.81 162.71 29.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.3 p -129.48 177.19 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.63 -39.28 62.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 0.1 OUTLIER -147.88 171.15 16.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 103' ' ' THR . . . -52.53 -34.44 42.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.466 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.577 ' CD ' ' N ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -60.12 -64.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 105' ' ' LYS . 6.3 mt-10 -46.93 -20.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.9 ttt -89.08 -39.81 13.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.86 -38.11 81.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.431 HD13 ' HD2' ' A' ' 23' ' ' ARG . 64.7 mt -67.37 -51.8 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.62 ' CD1' HD13 ' A' ' 27' ' ' LEU . 15.2 m95 -60.99 -48.0 83.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.8 mtt -57.66 -59.42 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -39.65 -41.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -79.98 -66.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.672 ' HA ' HD13 ' A' ' 67' ' ' LEU . 23.2 mtt -36.68 -58.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.498 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.4 mm? -52.38 -41.55 63.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.1 t70 -71.03 -24.8 62.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.412 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -98.81 -2.5 37.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.84 -43.77 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.809 HD22 ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.791 0.246 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.12 123.15 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.33 -56.44 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -167.51 142.34 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' CB ' HG22 ' A' ' 44' ' ' VAL . 16.0 ptt180 -133.07 127.86 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.78 158.03 28.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.577 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 81.8 m95 -70.19 89.45 0.64 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.578 HD13 ' CD1' ' A' ' 110' ' ' TRP . 52.9 tp -88.44 157.66 18.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -101.27 134.3 44.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.894 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.4 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.807 0.336 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -114.58 151.16 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -93.1 138.83 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.7 tpp85 -158.71 152.42 23.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.577 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 21.9 t-105 -78.38 123.24 26.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.426 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 31.6 m-85 -119.34 166.13 13.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.402 HG22 ' CB ' ' A' ' 24' ' ' ARG . 70.7 t -156.16 132.32 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -104.54 97.95 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -135.01 149.68 50.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.2 t0 45.12 45.12 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.512 HD12 ' CA ' ' A' ' 117' ' ' ALA . 3.4 mm? 46.42 46.29 13.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 34.3 t -149.89 158.4 44.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.7 mt -97.74 137.87 35.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -144.93 124.56 13.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 21.2 p90 -127.55 160.6 31.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -139.89 178.71 7.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.946 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.608 ' HG3' HD21 ' A' ' 62' ' ' LEU . 91.7 mtt180 -54.66 -48.87 71.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 10.3 p30 -153.43 -175.54 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -49.48 -32.17 11.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.451 ' CB ' ' HG3' ' A' ' 59' ' ' GLU . 6.2 mmmm -47.46 -25.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 55.47 41.07 31.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' HG3' ' CB ' ' A' ' 57' ' ' LYS . 6.2 mt-10 -91.77 108.22 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.02 133.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 53' ' ' TYR . 61.0 mt -86.57 125.94 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.608 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -76.02 -34.46 59.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.54 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -169.44 140.31 6.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 p -104.86 148.01 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.68 HG23 ' HE2' ' A' ' 70' ' ' PHE . 40.9 mt -126.31 125.26 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.04 110.68 19.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.5 mt -67.64 -43.99 42.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.4 Cg_exo -47.98 -25.4 6.32 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.712 2.275 . . . . 0.0 112.379 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.442 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 61.6 m -92.44 -21.67 20.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.68 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.6 m-85 -85.33 153.77 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -116.51 107.91 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.44 HG21 ' SD ' ' A' ' 111' ' ' MET . 5.0 mm -80.14 111.09 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.52 134.34 25.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.81 135.79 47.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.27 154.8 50.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.9 p90 -131.5 172.6 12.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -134.43 151.91 51.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -121.3 120.15 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.65 137.59 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 43.3 t-80 -129.07 139.84 36.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.565 0.698 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.8 Cg_endo -73.46 -48.71 0.24 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -92.88 17.54 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.512 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 28.3 mtm -154.7 -178.13 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 2.5 ptp180 -87.27 178.67 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 m -88.75 120.56 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -88.93 165.07 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -143.6 131.76 21.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -134.36 144.62 48.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 17.4 p -137.3 162.32 33.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 106' ' ' GLU . 19.4 p -130.85 -178.38 4.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -43.5 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 4.7 t -142.94 -179.8 6.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.435 ' N ' ' OG1' ' A' ' 103' ' ' THR . . . -57.42 -40.79 92.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.903 ' HE2' HD11 ' A' ' 109' ' ' LEU . 2.8 tmtt? -56.76 -64.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.734 0.302 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.507 ' O ' HG21 ' A' ' 101' ' ' THR . 27.2 mt-10 -46.66 -20.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 ttt -88.32 -41.97 12.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -62.06 -35.16 77.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.903 HD11 ' HE2' ' A' ' 105' ' ' LYS . 39.4 mt -64.91 -41.53 95.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.578 ' CD1' HD13 ' A' ' 27' ' ' LEU . 14.5 m95 -75.58 -51.38 13.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.44 ' SD ' HG21 ' A' ' 72' ' ' ILE . 14.4 mmm -57.05 -59.35 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 111' ' ' MET . 27.4 mmtm -37.85 -41.29 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -82.88 -65.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.583 ' HA ' HD13 ' A' ' 67' ' ' LEU . 29.6 mtt -34.33 -56.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.48 -41.55 60.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.79 ' HA ' HD23 ' A' ' 119' ' ' LEU . 7.5 t0 -58.7 -27.33 64.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.512 ' CA ' HD12 ' A' ' 48' ' ' LEU . . . -91.07 -45.18 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 119' ' ' LEU . . . -61.8 -52.35 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.2 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.88 0.283 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.7 125.27 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.49 -48.31 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -174.94 145.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 23' ' ' ARG . 14.5 ptt180 -135.34 128.46 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.11 156.01 27.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.553 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 82.6 m95 -65.97 92.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.756 HD13 ' NE1' ' A' ' 110' ' ' TRP . 27.0 tp -85.03 160.59 19.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -109.0 128.82 55.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 21.0 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -138.6 145.69 40.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -80.74 128.74 33.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -151.91 145.37 24.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.553 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 22.2 t-105 -75.28 135.1 40.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -135.96 150.08 49.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -139.22 126.64 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.5 100.52 12.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -144.55 154.43 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t70 47.03 42.13 12.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.77 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER 45.82 42.55 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.9 m -146.06 169.2 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 50' ' ' LEU . 8.6 mt -107.67 134.02 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -141.34 128.04 20.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 42' ' ' TRP . 21.0 p90 -131.18 156.39 45.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.547 ' CD1' ' HG2' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -131.65 175.48 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HA ' HD11 ' A' ' 62' ' ' LEU . 9.9 ptt180 -60.32 -34.32 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -161.36 -178.34 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.62 -34.35 58.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -48.17 -26.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.547 ' HG2' ' CD1' ' A' ' 53' ' ' TYR . 40.8 mt-10 52.08 45.98 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -101.46 81.82 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.41 114.92 3.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.436 HG12 ' CE2' ' A' ' 53' ' ' TYR . 96.3 mt -76.81 123.95 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -71.85 -30.85 65.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.33 144.52 6.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.442 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 p -104.72 153.44 21.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.686 HG23 ' HE2' ' A' ' 70' ' ' PHE . 47.3 mt -130.34 124.92 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.0 mm? -83.62 107.95 16.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 17.3 mt -68.44 -42.43 27.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 66.3 Cg_exo -48.08 -24.86 5.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 56.3 m -94.56 -21.33 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.686 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.8 m-85 -83.12 162.18 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -127.31 109.37 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.487 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.1 mm -80.09 120.93 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.23 141.45 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.57 136.01 57.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' ' 88' ' ' LYS . 51.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.501 ' CD2' ' HA2' ' A' ' 104' ' ' GLY . 15.3 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.93 0.395 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.42 148.66 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.506 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 3.6 p90 -139.33 166.8 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.49 ' HG2' HD23 ' A' ' 75' ' ' LEU . 18.7 pttt -134.33 152.93 52.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.68 129.3 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.88 142.64 30.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 25.7 t-80 -136.9 140.27 31.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -74.09 -48.86 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -90.91 11.23 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.489 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 44.8 mtm -148.29 -175.72 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -91.82 -177.79 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 m -91.55 122.63 34.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -88.81 173.16 8.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 59.9 m-85 -148.59 131.02 15.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.506 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 12.4 m-85 -136.13 133.91 37.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.79 162.78 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.4 HG21 ' C ' ' A' ' 106' ' ' GLU . 39.1 p -129.13 -175.41 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.92 -26.74 20.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.74 173.96 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.501 ' HA2' ' CD2' ' A' ' 85' ' ' TYR . . . -57.54 -53.2 46.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.75 ' HE2' HD11 ' A' ' 109' ' ' LEU . 6.4 tmtt? -49.54 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.731 0.3 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.4 ' C ' HG21 ' A' ' 101' ' ' THR . 11.1 mt-10 -42.36 -24.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 105' ' ' LYS . 3.1 ttt -90.07 -37.07 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.7 pt-20 -63.23 -35.1 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 105' ' ' LYS . 31.7 mt -66.18 -38.86 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.756 ' NE1' HD13 ' A' ' 27' ' ' LEU . 19.3 m95 -75.27 -51.0 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 112' ' ' LYS . 18.7 mtp -57.13 -64.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 111' ' ' MET . 27.6 mmtt -34.14 -40.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.83 -60.85 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 118' ' ' ALA . 36.9 mtt -44.64 -54.97 5.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 119' ' ' LEU . 4.4 mm? -51.22 -34.14 30.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.55 -31.39 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.453 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -87.94 -9.84 52.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 114' ' ' MET . . . -99.64 -46.74 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.813 0.255 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -81.11 115.78 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.67 -48.22 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -172.15 144.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' CB ' HG22 ' A' ' 44' ' ' VAL . 20.3 ptt180 -139.18 127.94 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.523 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -161.29 161.13 32.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.519 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 96.1 m95 -71.29 96.16 1.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' CD1' ' A' ' 110' ' ' TRP . 36.9 tp -97.72 155.96 16.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 41.1 m-85 -103.44 132.5 49.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 58.2 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -119.19 142.2 48.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 66.8 tttt -87.93 137.61 32.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -161.02 144.16 12.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 23.0 t-105 -70.1 113.25 7.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 26.5 m-85 -109.95 148.08 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.418 HG22 ' CB ' ' A' ' 24' ' ' ARG . 98.1 t -138.43 136.98 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 49' ' ' CYS . 0.6 OUTLIER -106.06 98.02 7.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 p -134.07 154.79 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.6 t0 45.88 34.3 1.87 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.673 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.2 mm? 54.9 38.84 31.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.523 ' O ' HD22 ' A' ' 45' ' ' LEU . 49.5 m -139.71 176.95 8.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.9 mt -112.34 129.86 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -140.48 125.3 18.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 12.0 p90 -124.71 154.25 41.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -134.48 176.21 8.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.957 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.665 ' HG3' HD21 ' A' ' 62' ' ' LEU . 67.6 mtt-85 -58.98 -44.2 91.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -157.06 -176.9 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -52.87 -22.11 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -22.17 12.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 52.46 34.74 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -85.38 98.84 10.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.2 141.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.492 HG13 ' CE2' ' A' ' 53' ' ' TYR . 86.4 mt -91.76 129.55 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.665 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.1 mt -78.29 -24.27 46.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.514 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 178.78 138.52 3.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -105.8 150.1 25.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.813 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.604 HG23 ' HE2' ' A' ' 70' ' ' PHE . 38.5 mt -128.78 126.13 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.07 110.11 18.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 17.3 mt -69.49 -42.49 20.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.544 0.688 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -48.01 -23.95 4.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.445 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 19.5 m -94.02 -24.89 17.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.604 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.7 m-85 -80.21 157.91 26.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 90' ' ' ALA . 7.1 tt0 -119.95 106.5 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.83 119.23 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.09 141.31 21.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -58.28 133.11 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.869 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.922 0.391 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.12 157.74 42.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.8 p90 -133.46 179.1 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.502 ' HD2' HG21 ' A' ' 96' ' ' THR . 11.9 pttm -139.0 154.99 48.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -123.14 127.99 49.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' ' 71' ' ' GLN . . . -99.66 132.89 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 30.1 t-80 -127.18 140.16 37.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.699 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.63 -49.49 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -88.65 9.52 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.447 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.7 mtm -148.68 -178.14 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -87.78 -178.0 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.502 HG21 ' HD2' ' A' ' 88' ' ' LYS . 31.8 m -89.64 121.19 31.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -90.4 165.02 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -139.98 134.82 32.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -135.79 139.09 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 16.3 p -136.59 161.77 34.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 p -129.39 -179.95 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -88.23 -33.26 18.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -134.45 176.34 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.52 -44.64 89.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.731 ' HE2' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -56.36 -61.1 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.746 0.308 . . . . 0.0 110.861 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -43.67 -22.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.6 ttt -89.5 -33.83 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.3 pt-20 -69.54 -42.28 74.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.731 HD11 ' HE2' ' A' ' 105' ' ' LYS . 49.9 mt -62.18 -35.0 77.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.556 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.3 m95 -77.49 -45.63 24.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 112' ' ' LYS . 6.7 mtp -61.55 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 111' ' ' MET . 23.8 mmtp -35.1 -43.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -77.28 -66.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.563 ' HA ' HD13 ' A' ' 67' ' ' LEU . 19.2 mtt -36.55 -56.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 115' ' ' LEU . 4.0 mm? -49.37 -56.54 9.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -48.18 -25.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -96.94 -21.22 17.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.47 -54.62 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.811 HD22 ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.883 0.285 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.89 125.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -68.36 -58.15 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -166.89 133.33 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.562 ' CB ' HG22 ' A' ' 44' ' ' VAL . 6.0 ptt-85 -125.91 122.65 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.52 156.87 27.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.495 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 93.4 m95 -64.68 101.59 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.685 HD13 ' CD1' ' A' ' 110' ' ' TRP . 19.5 tp -105.62 152.45 23.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.508 ' CE1' ' HD3' ' A' ' 40' ' ' LYS . 58.5 m-85 -96.13 135.18 38.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.881 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.5 m95 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -96.46 149.97 21.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.508 ' HD3' ' CE1' ' A' ' 28' ' ' TYR . 5.8 tptm -85.0 121.75 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -136.92 155.14 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.495 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 43.0 t-105 -86.64 122.87 31.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.494 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 43.4 m-85 -119.82 163.96 16.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.562 HG22 ' CB ' ' A' ' 24' ' ' ARG . 78.4 t -153.1 125.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -96.92 98.15 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 t -134.2 156.66 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.4 t0 41.13 39.73 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.61 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.1 mm? 50.67 43.42 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.5 t -145.88 163.52 34.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.5 mt -101.33 134.23 44.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -142.34 130.83 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.2 p90 -130.1 158.18 40.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.579 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -138.38 179.34 6.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.654 ' HG3' HD21 ' A' ' 62' ' ' LEU . 94.5 mtt180 -57.18 -47.27 81.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -154.03 -178.21 6.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -49.13 -33.53 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -30.5 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 60.73 45.93 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -90.96 94.8 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.19 129.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 53' ' ' TYR . 81.4 mt -79.6 129.16 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.654 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.3 mt -80.57 -31.08 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.518 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -173.92 139.16 4.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 p -103.46 155.96 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.492 HG23 ' HE2' ' A' ' 70' ' ' PHE . 65.4 mt -135.63 134.86 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.49 111.2 22.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.3 mt -71.05 -42.09 11.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.5 Cg_exo -47.96 -24.49 5.3 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.378 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.9 m -95.0 -20.96 18.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 6.9 m-85 -84.56 149.3 25.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -110.98 108.95 18.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.9 mm -79.98 110.83 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.39 136.43 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -46.69 139.03 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 88' ' ' LYS . 93.0 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.926 0.394 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 99' ' ' PHE . . . -126.83 162.83 24.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -138.09 -178.99 5.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.475 ' HB3' HD23 ' A' ' 75' ' ' LEU . 30.7 pttt -141.0 149.28 41.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -120.15 118.42 30.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.69 138.5 31.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 25.2 t-80 -123.95 140.34 34.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.5 Cg_endo -74.18 -45.53 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -95.57 12.24 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.51 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 2.9 mpp? -149.05 -175.25 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -86.83 -175.44 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.5 m -94.1 119.93 33.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.95 156.14 18.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -129.26 135.98 49.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.415 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 9.7 m-85 -137.27 151.97 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 14.1 p -145.88 161.13 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 106' ' ' GLU . 12.0 p -129.7 -176.63 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -88.37 -45.27 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.8 p -137.5 -177.9 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.57 -51.37 59.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.512 ' HE3' HD21 ' A' ' 109' ' ' LEU . 32.7 tptt -47.71 -55.0 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.699 0.285 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.524 ' O ' HG21 ' A' ' 101' ' ' THR . 17.3 mm-40 -55.5 -22.58 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.3 ttt -89.07 -37.51 15.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -70.21 -37.97 75.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.512 HD21 ' HE3' ' A' ' 105' ' ' LYS . 86.1 mt -68.11 -36.29 79.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.685 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.5 m95 -80.21 -39.74 28.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 112' ' ' LYS . 1.9 mtt -67.09 -65.16 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 111' ' ' MET . 39.0 mmtt -37.56 -44.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.26 -62.44 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.501 ' HA ' HD13 ' A' ' 67' ' ' LEU . 18.2 mtt -40.22 -54.3 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 115' ' ' LEU . 4.1 mm? -51.4 -58.96 4.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -46.41 -21.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -98.69 -26.63 14.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . -80.74 -50.16 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.773 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.814 0.256 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.23 125.85 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.94 -53.32 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 23' ' ' ARG . 15.1 ttm105 -169.8 139.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.62 ' HB3' HG22 ' A' ' 44' ' ' VAL . 17.1 ptt-85 -123.39 129.25 51.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.62 158.3 28.39 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -72.93 93.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.671 HD13 ' CD1' ' A' ' 110' ' ' TRP . 31.9 tp -86.84 162.0 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 16.6 m-85 -124.15 136.05 53.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 10.6 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -145.38 138.93 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.524 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 52.4 tttt -79.23 134.27 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -152.69 137.54 17.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.415 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 33.4 t-105 -72.99 106.61 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.2 m-85 -99.61 168.57 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.62 HG22 ' HB3' ' A' ' 24' ' ' ARG . 22.3 t -157.59 119.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -89.31 98.53 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.5 t -143.41 154.94 44.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.95 29.32 7.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.542 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.9 mm? 55.89 36.55 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.3 m -140.55 -178.03 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 50' ' ' LEU . 9.7 mt -117.09 130.93 56.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -137.79 139.58 40.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.7 p90 -136.59 160.85 37.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -146.27 151.63 37.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' TYR . 21.4 mtt-85 -34.46 -49.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.56 176.15 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -50.36 -19.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -50.9 -24.15 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 61.5 48.95 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -81.8 -177.17 6.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' ILE . . . -39.31 102.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.525 HG12 ' CE2' ' A' ' 53' ' ' TYR . 79.7 mt -37.37 135.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -84.23 -26.15 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.478 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 173.64 145.08 4.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.0 p -107.4 149.37 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.611 HG23 ' HE2' ' A' ' 70' ' ' PHE . 44.5 mt -122.55 125.37 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.21 112.49 19.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.5 mt -71.88 -43.32 10.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.927 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.4 Cg_exo -47.93 -23.78 4.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.412 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 55.2 m -94.35 -27.56 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.611 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.9 m-85 -79.97 156.83 27.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -120.16 105.02 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.506 HG21 ' CD2' ' A' ' 115' ' ' LEU . 6.1 mm -80.14 119.44 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.52 149.91 33.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.49 140.23 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 13.4 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.421 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 2.0 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' A' ' 99' ' ' PHE . . . -129.11 171.34 12.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.515 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -140.06 -175.88 4.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.423 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 31.5 pttt -144.46 142.24 30.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.99 124.88 52.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.91 143.43 28.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 13.7 t-80 -131.18 140.71 39.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.63 0.728 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.532 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.6 Cg_endo -73.77 -49.4 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -91.95 7.37 42.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.522 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.0 mtp -144.69 -175.8 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -90.35 -178.88 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.6 m -91.37 123.33 34.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.35 168.47 12.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -139.52 136.76 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.551 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 29.5 m-85 -141.63 155.7 45.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 15.3 p -148.0 162.68 38.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.582 HG21 ' O ' ' A' ' 106' ' ' GLU . 20.2 p -129.97 -178.03 4.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -80.18 -45.79 17.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.5 p -139.16 -176.76 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.89 -38.11 94.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -58.74 -61.46 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.582 ' O ' HG21 ' A' ' 101' ' ' THR . 15.2 mt-10 -50.09 -19.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.2 ttt -88.37 -45.54 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.63 -39.74 89.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.56 -45.53 90.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.671 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.8 m95 -68.88 -48.25 63.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 112' ' ' LYS . 17.7 mtp -61.7 -62.82 1.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 111' ' ' MET . 39.8 mmtt -34.44 -44.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.85 -60.19 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.532 ' HA ' HD13 ' A' ' 67' ' ' LEU . 16.9 mtt -41.89 -56.38 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.506 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.2 mm? -54.72 -41.49 70.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.99 -23.45 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.451 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -101.6 -1.89 31.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.93 -40.24 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.827 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.793 0.247 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -83.33 132.51 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -71.37 -47.94 56.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -172.94 142.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' CB ' HG22 ' A' ' 44' ' ' VAL . 27.2 ptt180 -133.06 119.11 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.92 143.88 10.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -54.91 99.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.566 HD13 ' CD1' ' A' ' 110' ' ' TRP . 54.1 tp -96.11 160.35 14.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -111.58 140.69 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HG3' ' CE1' ' A' ' 99' ' ' PHE . 8.5 ttmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 55.0 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.81 0.338 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -109.56 146.69 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -93.99 121.04 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -140.0 157.01 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -80.41 104.86 11.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -104.75 141.98 35.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.46 HG22 ' CB ' ' A' ' 24' ' ' ARG . 65.9 t -132.78 124.38 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -96.25 102.93 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -148.58 152.63 37.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 53.85 45.98 26.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.1 mt 42.01 42.45 2.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 t -152.01 164.4 37.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -104.56 131.91 51.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -137.18 133.53 35.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.548 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 5.1 p90 -134.51 162.08 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -139.19 -175.01 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HG2' HD21 ' A' ' 62' ' ' LEU . 29.8 mmt180 -64.53 -45.13 88.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.63 -175.05 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -54.28 -31.36 53.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 58' ' ' GLU . 26.8 mttt -54.38 -19.65 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.502 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER 30.67 47.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -94.43 36.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.81 110.34 0.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 53' ' ' TYR . 54.2 mt -70.8 131.53 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.576 HD21 ' HG2' ' A' ' 54' ' ' ARG . 1.2 mt -88.68 -30.63 19.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.548 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -174.36 131.07 1.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.4 p -97.38 154.66 17.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.821 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.566 HG23 ' HE2' ' A' ' 70' ' ' PHE . 60.4 mt -129.67 130.55 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.68 113.72 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.643 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 27.4 mt -74.59 -41.64 4.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.649 0.737 . . . . 0.0 110.975 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.9 Cg_exo -47.97 -24.09 4.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.438 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 8.0 m -94.84 -22.46 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 8.9 m-85 -82.94 156.78 23.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -118.39 108.28 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.487 HG21 ' CD2' ' A' ' 115' ' ' LEU . 4.8 mm -80.12 110.03 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.85 136.18 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.47 140.78 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.87 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.906 0.384 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -133.95 175.03 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -140.32 -175.95 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -150.59 139.9 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.87 125.07 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.44 134.21 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 38.2 t-80 -128.64 139.73 36.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.2 Cg_endo -72.26 -48.47 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -95.62 23.8 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.523 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 32.6 mtm -157.21 -175.59 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -91.5 -178.34 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.2 m -91.96 117.89 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -87.76 156.77 19.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -132.93 144.88 50.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CE1' ' HG3' ' A' ' 29' ' ' LYS . 13.7 m-85 -145.65 131.65 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.0 p -132.91 162.47 31.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.549 HG21 ' O ' ' A' ' 106' ' ' GLU . 35.6 p -132.51 175.54 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -75.56 -43.46 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 73.1 p -132.45 168.21 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.11 -37.12 62.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.728 ' HE3' HD21 ' A' ' 109' ' ' LEU . 42.5 tptt -58.29 -60.66 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.549 ' O ' HG21 ' A' ' 101' ' ' THR . 7.9 mt-10 -48.46 -22.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 9.5 ttt -85.74 -48.28 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -58.53 -32.84 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.728 HD21 ' HE3' ' A' ' 105' ' ' LYS . 81.7 mt -69.41 -39.7 77.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.566 ' CD1' HD13 ' A' ' 27' ' ' LEU . 17.5 m95 -74.74 -44.52 49.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' LYS . 4.2 mtp -60.98 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' MET . 32.7 mmtp -37.65 -43.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.59 -66.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.514 ' HA ' HD13 ' A' ' 67' ' ' LEU . 31.8 mtt -39.79 -56.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.487 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.0 mm? -49.3 -45.94 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.551 ' HA ' HD23 ' A' ' 119' ' ' LEU . 13.5 t0 -49.47 -42.1 42.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.73 -50.53 10.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.72 -52.73 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.551 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.796 0.248 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.9 t -77.94 119.69 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.9 t -65.65 -59.26 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -164.49 148.4 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.535 ' HB2' HG22 ' A' ' 44' ' ' VAL . 10.8 ptp180 -135.36 134.12 39.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.5 156.12 27.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.564 ' CE3' ' HE2' ' A' ' 40' ' ' LYS . 88.7 m95 -68.78 90.48 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.832 0.349 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.672 HD13 ' CD1' ' A' ' 110' ' ' TRP . 17.9 tp -90.62 159.99 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.605 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.0 m-85 -111.0 125.75 54.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.889 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.427 ' CE3' ' SG ' ' A' ' 100' ' ' CYS . 39.0 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.872 0.368 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -95.82 143.36 27.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.605 ' HG2' ' CE1' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -95.09 132.12 40.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 17.1 tpp180 -161.09 155.75 23.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.546 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 36.8 t-105 -76.19 128.11 34.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 16.2 m-85 -121.97 145.93 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 24' ' ' ARG . 43.1 t -136.24 134.14 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -100.91 99.25 9.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -141.71 155.57 45.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.3 OUTLIER 51.45 29.62 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.4 mm? 55.99 33.5 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 92.2 m -135.94 -179.27 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -114.06 128.27 56.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.506 ' CE1' ' CB ' ' A' ' 64' ' ' SER . 95.3 m-85 -136.98 139.6 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.476 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 2.5 p90 -134.98 159.13 42.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.678 ' CE2' HD13 ' A' ' 61' ' ' ILE . 13.9 m-85 -137.53 169.47 17.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -57.22 -36.69 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.52 178.11 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.4 -14.82 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -60.45 -22.0 62.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 30.9 mt-10 50.31 51.39 16.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -111.79 121.42 45.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.04 114.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.678 HD13 ' CE2' ' A' ' 53' ' ' TYR . 2.7 mm -67.43 152.33 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 61' ' ' ILE . 5.2 mt -115.5 -17.24 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.476 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 161.39 135.17 1.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.506 ' CB ' ' CE1' ' A' ' 51' ' ' PHE . 95.7 p -111.0 146.98 35.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 0.0 110.823 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.595 HG23 ' HE2' ' A' ' 70' ' ' PHE . 36.7 mt -119.48 123.44 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.13 110.07 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.8 mt -72.82 -41.77 7.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 66.1 Cg_exo -48.03 -23.79 4.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 66.3 m -94.52 -21.58 18.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.595 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.0 m-85 -85.0 159.61 20.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -123.52 106.74 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.0 mm -80.15 118.72 28.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.02 137.42 26.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 74' ' ' LEU . 4.0 mm? -46.47 141.24 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 14.3 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.949 0.404 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.43 153.99 44.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -133.13 -177.04 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 5.6 pttp -140.44 143.91 35.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.81 120.21 37.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.21 139.9 30.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 24.8 t-80 -131.91 139.42 35.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.699 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.495 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.08 -50.13 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -89.55 8.64 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.513 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.0 mtp -147.16 -176.7 5.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -89.16 177.87 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -88.11 119.89 28.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.85 169.23 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -145.1 129.71 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -129.5 143.63 50.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.427 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 16.0 p -138.84 156.0 47.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.608 HG21 ' O ' ' A' ' 106' ' ' GLU . 9.8 p -124.56 178.37 5.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.94 -45.26 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.8 t -140.06 -175.07 4.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.39 -49.45 77.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.554 ' HE3' HD21 ' A' ' 109' ' ' LEU . 24.7 tptt -51.29 -56.16 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.735 0.302 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.608 ' O ' HG21 ' A' ' 101' ' ' THR . 9.2 mm-40 -51.57 -21.94 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.7 ttt -89.93 -45.19 9.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.29 -34.87 71.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.554 HD21 ' HE3' ' A' ' 105' ' ' LYS . 84.4 mt -68.27 -33.26 74.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.672 ' CD1' HD13 ' A' ' 27' ' ' LEU . 16.5 m95 -80.15 -53.85 6.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 112' ' ' LYS . 12.3 mtp -52.49 -64.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 111' ' ' MET . 42.1 mmtt -34.41 -40.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.29 -63.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.44 ' HA ' HD13 ' A' ' 67' ' ' LEU . 30.5 mtt -43.22 -57.89 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -46.78 -34.39 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.72 -33.15 58.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -86.9 -9.55 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -99.14 -43.48 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -128.94 170.22 13.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -148.56 122.1 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.44 -97.83 0.28 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t 58.7 43.04 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 110.81 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -122.33 98.65 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.06 -175.17 13.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.06 93.56 4.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -53.85 -50.51 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 m -84.98 119.81 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -69.96 83.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -100.2 165.6 11.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mt -117.0 141.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -128.22 130.04 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -68.33 149.73 49.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -108.73 93.93 13.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -43.87 -45.68 11.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -55.46 -48.45 74.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.58 102.17 0.26 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 111.077 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.16 106.37 0.08 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.36 127.43 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.182 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.3 -56.49 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -165.02 142.94 6.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' CB ' HG22 ' A' ' 44' ' ' VAL . 6.0 ptt-85 -135.74 127.78 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.525 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -158.15 173.86 35.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.479 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -80.01 102.73 9.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' A' ' 110' ' ' TRP . 34.7 tp -102.39 155.58 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -104.71 122.28 45.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -111.68 149.62 31.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 26.1 tt0 -123.48 141.01 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.48 170.97 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 t -125.7 42.76 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.1 p -125.15 89.71 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.67 -83.19 1.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.7 mmm -109.13 131.03 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.432 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 1.7 mptm? -88.31 82.02 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -107.65 168.86 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -106.35 134.04 50.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 130.54 56.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -82.63 122.73 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -148.17 167.02 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.525 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 52.4 t-105 -94.19 112.09 23.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -104.75 161.86 13.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.421 HG22 ' CB ' ' A' ' 24' ' ' ARG . 70.7 t -151.22 135.09 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -105.38 99.37 8.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t -149.83 145.26 26.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t70 63.36 39.42 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.471 ' O ' ' HB1' ' A' ' 117' ' ' ALA . 86.3 mt 47.23 29.97 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.1 m -138.7 176.64 8.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -114.1 134.64 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -142.55 135.6 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -137.97 161.73 35.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -141.28 169.6 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -46.62 -49.85 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -148.48 -175.09 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -52.93 -36.63 59.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -44.59 -29.92 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' HG2' ' CE1' ' A' ' 53' ' ' TYR . 21.3 mt-10 61.66 31.48 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -76.15 92.88 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.99 135.04 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.474 HG12 ' CE2' ' A' ' 53' ' ' TYR . 85.7 mt -85.89 131.19 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.44 -27.57 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.64 138.52 2.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 p -101.36 153.26 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.518 HG23 ' HE2' ' A' ' 70' ' ' PHE . 49.9 mt -130.26 122.96 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.18 111.14 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 12.7 mt -69.42 -43.31 22.93 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.9 Cg_exo -47.92 -24.78 5.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 25.8 m -92.43 -22.39 19.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 8.5 m-85 -85.18 153.4 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -115.74 108.11 15.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.406 ' HB ' HD11 ' A' ' 115' ' ' LEU . 4.9 mm -80.47 118.47 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.46 143.06 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.09 137.2 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.4 mt -49.34 160.22 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.4 t -126.69 173.06 9.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.4 m -41.83 -50.64 4.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -52.45 -44.43 65.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -92.87 48.65 1.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.515 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -74.62 67.45 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.555 HG22 ' H ' ' A' ' 83' ' ' ARG . 96.5 mt -75.53 133.05 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -47.27 -43.36 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.555 ' H ' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -70.6 92.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -70.24 -178.94 1.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 57.62 44.01 21.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -137.19 159.48 41.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -127.63 177.01 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HD2' HG21 ' A' ' 96' ' ' THR . 3.3 pttp -137.1 152.37 49.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -122.04 121.98 38.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.26 141.94 27.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 26.7 t-80 -134.87 140.36 34.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.56 -48.73 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -91.31 10.76 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.516 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.6 mtm -148.03 -175.66 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -90.51 -176.91 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.402 HG21 ' HD2' ' A' ' 88' ' ' LYS . 62.3 m -92.49 121.1 33.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.65 172.12 9.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -146.6 129.41 16.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -129.54 133.2 47.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.667 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 1.7 p -135.74 156.85 48.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.426 HG21 ' C ' ' A' ' 106' ' ' GLU . 45.3 p -124.25 -175.75 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.75 -41.09 18.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.7 p -128.35 -175.91 3.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.85 -39.3 65.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.802 ' CD ' HD11 ' A' ' 109' ' ' LEU . 4.7 tmmm? -61.05 -63.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.426 ' C ' HG21 ' A' ' 101' ' ' THR . 5.3 mm-40 -39.28 -27.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' LYS . 1.5 ttt -82.03 -42.27 19.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 105' ' ' LYS . 7.0 pt-20 -62.34 -36.23 81.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.802 HD11 ' CD ' ' A' ' 105' ' ' LYS . 28.5 mt -64.85 -33.98 77.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.492 ' CD1' HD13 ' A' ' 27' ' ' LEU . 18.8 m95 -80.8 -43.23 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.9 mmm -63.44 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 111' ' ' MET . 28.8 mmtp -34.85 -41.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -80.21 -66.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.422 ' HA ' HD13 ' A' ' 67' ' ' LEU . 23.7 mtt -36.85 -56.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 115' ' ' LEU . 3.5 mm? -49.87 -44.63 49.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.632 ' HA ' HD23 ' A' ' 119' ' ' LEU . 1.5 t70 -52.77 -26.01 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -95.52 -38.66 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.2 -53.04 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -39.04 -33.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 117' ' ' ALA . 93.7 t -37.35 142.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 119' ' ' LEU . 69.2 mm-40 -107.94 61.87 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 122' ' ' THR . 5.5 t -131.23 121.53 24.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.7 t -163.82 125.96 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.97 145.82 8.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.49 -178.5 4.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.6 p -157.65 156.09 31.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.3 t -74.62 98.81 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -153.31 148.96 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -93.98 171.72 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.5 156.6 10.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -109.59 111.29 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -172.26 151.22 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.1 52.02 1.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -153.35 120.97 5.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 9' ' ' ARG . 2.1 ppt_? -66.47 -24.36 66.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -107.69 96.15 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -87.05 -50.58 6.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.7 p -170.69 177.25 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.476 HD13 HD21 ' A' ' 66' ' ' LEU . 30.2 mt -109.2 135.63 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -134.07 136.7 44.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.805 HH11 HG11 ' A' ' 44' ' ' VAL . 14.5 ttp180 -73.74 106.16 5.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 5.0 t30 -60.57 143.06 90.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.673 0.749 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 16' ' ' ASN . 63.5 Cg_endo -78.7 -48.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -55.91 -32.72 64.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.46 140.84 79.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.538 0.685 . . . . 0.0 111.075 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -79.5 127.21 7.18 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.15 126.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.2 t -69.94 -60.08 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -160.95 137.73 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -126.62 124.37 39.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.51 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -160.3 165.3 34.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.486 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 87.4 m95 -77.34 95.1 4.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 110' ' ' TRP . 28.1 tp -95.45 144.19 26.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -90.66 132.97 35.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -125.02 145.55 49.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.46 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 28.9 tt0 -81.43 124.06 29.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -60.42 173.94 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.0 p -127.74 41.44 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.9 p -148.91 136.86 20.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.02 -109.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -72.8 141.71 48.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.46 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 11.9 mptt -107.33 85.36 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mt -108.43 -178.79 3.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -98.25 116.93 31.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -100.69 149.23 24.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HE3' ' CG ' ' A' ' 26' ' ' TRP . 22.7 tptt -91.15 118.56 30.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -142.82 155.67 44.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 38.3 t-105 -85.54 113.8 22.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 34.0 m-85 -111.71 143.65 42.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.805 HG11 HH11 ' A' ' 15' ' ' ARG . 53.8 t -132.72 135.13 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -107.51 99.29 8.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 t -142.91 144.37 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t70 58.1 42.75 21.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.3 mt 45.85 44.38 10.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 10.4 t -151.52 162.01 41.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -102.31 134.19 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 15' ' ' ARG . 76.0 m-85 -143.67 125.22 14.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.481 ' O ' HG23 ' A' ' 61' ' ' ILE . 18.5 p90 -124.41 164.79 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.587 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -140.44 178.55 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.968 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.548 ' HG3' HD21 ' A' ' 62' ' ' LEU . 51.6 mtt180 -57.38 -46.63 83.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.64 -179.94 7.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.12 -17.54 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -56.57 -25.28 51.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 60.13 40.4 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -94.83 98.7 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.14 134.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.587 HG12 ' CE2' ' A' ' 53' ' ' TYR . 99.3 mt -87.28 122.59 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.137 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.548 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -68.77 -35.1 76.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -168.09 141.52 6.87 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.7 p -104.9 150.26 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.556 HG23 ' HE2' ' A' ' 70' ' ' PHE . 48.1 mt -129.71 122.1 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.476 HD21 HD13 ' A' ' 13' ' ' ILE . 4.2 mm? -81.46 112.1 18.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.9 mt -68.74 -44.01 30.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.1 Cg_exo -48.0 -23.83 4.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t -92.69 -25.74 18.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.556 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.1 m-85 -82.9 162.17 21.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -126.39 109.52 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.424 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.9 mm -80.19 117.76 26.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.83 138.79 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 1.1 mm? -58.19 137.27 57.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.5 mt -49.57 156.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 77' ' ' SER . 9.1 t -123.05 154.31 38.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 76' ' ' THR . 25.9 t -34.96 -48.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' ASP . 9.4 tt0 -41.49 -55.42 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.2 OUTLIER -35.09 132.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.509 ' CD2' ' H ' ' A' ' 80' ' ' HIS . 1.4 p80 -95.82 34.72 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.3 mt -112.63 137.49 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -109.5 42.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.462 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -101.72 179.63 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -127.75 157.41 40.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.543 ' CD1' ' HA2' ' A' ' 104' ' ' GLY . 22.6 m-85 46.68 42.41 11.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.15 145.27 46.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 1.2 p90 -128.98 -179.56 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -144.58 147.16 32.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.35 128.72 55.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.54 141.79 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 30.1 t-80 -135.82 140.22 32.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.57 0.7 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.36 -48.84 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -90.12 10.24 25.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.475 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 42.7 mtm -148.51 -176.17 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -92.71 -177.17 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.9 m -89.26 126.81 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.53 162.48 13.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -134.36 126.36 29.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.519 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 35.7 m-85 -129.49 136.94 50.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 11.4 p -136.82 162.63 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.7 p -129.18 176.28 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -79.85 -38.25 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.4 p -135.36 162.6 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.543 ' HA2' ' CD1' ' A' ' 85' ' ' TYR . . . -54.12 -29.62 44.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.548 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -66.46 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.723 0.297 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 105' ' ' LYS . 7.0 mt-10 -43.16 -23.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 105' ' ' LYS . 2.4 ttt -85.87 -45.7 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -56.19 -36.44 68.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.548 HD11 ' CE ' ' A' ' 105' ' ' LYS . 65.0 mt -69.45 -48.81 59.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.709 ' CD1' HD13 ' A' ' 27' ' ' LEU . 13.5 m95 -61.17 -50.61 72.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.2 mmm -57.91 -63.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 111' ' ' MET . 22.4 mmmt -35.92 -42.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.78 -62.8 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.576 ' HA ' HD13 ' A' ' 67' ' ' LEU . 32.4 mtt -41.63 -54.84 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.456 ' HA ' HD13 ' A' ' 115' ' ' LEU . 3.5 mm? -53.04 -38.33 62.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.776 ' HA ' HD23 ' A' ' 119' ' ' LEU . 4.4 t70 -60.73 -29.52 69.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -89.34 -46.74 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.59 86.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.776 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -48.6 -27.99 3.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 117' ' ' ALA . 95.0 t -49.32 136.3 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -109.65 79.93 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.7 t -122.88 149.81 43.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.9 m -76.45 139.87 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.807 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.51 -73.43 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.78 23.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.0 t 66.13 37.93 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 92.6 p -76.55 156.57 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 p -110.89 155.88 21.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -93.45 168.74 10.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.798 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -80.93 140.71 21.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 8.1 t -37.1 140.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.856 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -133.43 123.44 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.22 137.15 8.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -88.08 -60.2 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 mtm-85 -74.39 86.69 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -99.5 125.63 45.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -54.41 -50.75 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.3 p -79.82 164.31 23.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.3 mt -112.47 138.09 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 15' ' ' ARG . 10.2 tmtt? -119.52 138.8 52.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 17.3 ttp180 -62.91 146.42 52.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -111.39 93.49 19.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.61 -49.18 9.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -51.29 -49.72 60.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.85 103.4 0.32 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 111.111 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.27 115.7 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -71.7 131.09 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.7 -56.09 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 ttm-85 -166.42 132.62 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' CB ' HG22 ' A' ' 44' ' ' VAL . 16.6 ptt-85 -122.97 124.61 43.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.85 163.12 33.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -69.22 100.79 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.587 HD13 ' CD1' ' A' ' 110' ' ' TRP . 59.6 tp -103.17 150.7 23.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.489 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 60.6 m-85 -97.97 148.95 22.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -149.75 162.2 40.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 14.2 tt0 -87.94 167.59 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -109.02 132.64 53.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 p -54.18 -62.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -96.33 171.94 8.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' MET . . . 57.88 173.16 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -34.2 134.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 0.9 OUTLIER -88.97 76.38 7.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 mt -109.64 165.06 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -85.28 107.08 17.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -95.91 134.22 39.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 13.9 tttp -77.32 137.05 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.405 ' NH2' ' O ' ' A' ' 54' ' ' ARG . 3.7 tpm_? -158.86 151.95 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -77.11 118.16 19.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 40.9 m-85 -114.17 157.0 23.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 24' ' ' ARG . 54.1 t -148.24 130.97 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.46 103.23 12.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 t -148.9 147.79 29.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t0 57.9 32.8 22.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.2 mt 54.98 33.94 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 t -142.22 152.39 43.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.75 129.74 41.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -131.46 125.01 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 14.3 p90 -125.66 151.7 46.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -133.47 -174.96 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.549 ' HG3' HD21 ' A' ' 62' ' ' LEU . 46.0 mtt180 -65.42 -44.64 86.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -149.26 -177.86 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.36 -12.29 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 58' ' ' GLU . 56.2 mttt -71.42 -15.84 62.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 57' ' ' LYS . 1.1 pp20? 34.56 50.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -89.79 25.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.66 116.08 0.94 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.408 HG12 ' CE2' ' A' ' 53' ' ' TYR . 96.4 mt -67.87 138.97 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.549 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.3 mt -95.01 -24.26 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -178.43 132.05 1.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.2 p -96.02 147.67 23.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.715 HG23 ' HE2' ' A' ' 70' ' ' PHE . 41.0 mt -123.92 124.52 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.1 mm? -83.53 108.98 17.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.8 mt -66.78 -44.13 51.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.58 0.705 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -48.02 -25.43 6.43 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 13.8 m -92.08 -24.82 19.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.715 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.3 m-85 -81.11 163.98 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 90' ' ' ALA . 5.0 tt0 -127.96 108.37 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.456 ' CG2' ' SD ' ' A' ' 111' ' ' MET . 3.3 mm -80.6 108.49 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.39 136.29 29.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mt -49.53 151.19 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.91 174.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -154.19 169.69 23.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.3 t -42.76 -52.18 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -38.17 -49.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -68.42 108.64 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -81.04 46.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.628 HG22 ' HB2' ' A' ' 83' ' ' ARG . 74.6 mt -98.54 -55.42 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 70.55 25.81 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.628 ' HB2' HG22 ' A' ' 81' ' ' ILE . 9.0 tpt180 -88.75 133.59 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -76.65 161.81 28.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.582 ' CD1' ' HB3' ' A' ' 84' ' ' LYS . 5.2 m-85 34.41 53.09 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.77 150.24 52.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 1.8 p90 -132.94 169.75 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 pttm -132.31 138.67 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -107.37 120.96 43.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 71' ' ' GLN . . . -94.94 131.8 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 25.4 t-80 -123.14 140.37 33.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.8 Cg_endo -74.48 -50.39 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -89.45 10.01 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.517 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.8 mtp -147.06 -177.46 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -86.8 -177.56 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -91.08 120.34 31.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -87.97 171.4 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.569 ' CE2' HD11 ' A' ' 81' ' ' ILE . 75.8 m-85 -144.86 140.48 28.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.475 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 49.9 m-85 -138.36 159.83 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 15.0 p -162.5 161.43 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 106' ' ' GLU . 22.7 p -134.04 -178.34 4.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -76.95 -43.24 35.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -134.06 175.7 9.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.52 99.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.696 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -54.66 -64.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.926 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.42 ' O ' HG21 ' A' ' 101' ' ' THR . 7.2 mt-10 -47.52 -20.34 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.413 ' SD ' ' N ' ' A' ' 108' ' ' GLU . 1.1 tmt? -87.35 -48.34 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.413 ' N ' ' SD ' ' A' ' 107' ' ' MET . 5.3 pt-20 -55.76 -39.35 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.696 HD11 ' CE ' ' A' ' 105' ' ' LYS . 25.9 mt -60.18 -47.77 84.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.587 ' CD1' HD13 ' A' ' 27' ' ' LEU . 22.9 m95 -67.27 -46.79 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 87' ' ' PHE . 3.5 mmt -59.79 -62.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 111' ' ' MET . 5.8 mmmm -35.97 -43.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -77.82 -64.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.563 ' HA ' HD13 ' A' ' 67' ' ' LEU . 29.3 mtt -37.22 -53.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.432 ' CD2' HG21 ' A' ' 72' ' ' ILE . 3.8 mm? -53.57 -51.07 64.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.768 ' HA ' HD23 ' A' ' 119' ' ' LEU . 3.1 t70 -49.14 -31.56 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -86.05 -45.81 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 120' ' ' VAL . . . -59.24 -54.28 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.768 HD23 ' HA ' ' A' ' 116' ' ' ASP . 0.8 OUTLIER -39.78 -26.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 117' ' ' ALA . 69.0 t -48.64 138.32 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -108.58 98.12 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.1 t -157.14 164.6 37.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.2 m 40.31 38.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.24 146.1 17.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.05 -53.4 5.84 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.691 2.26 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.3 t 66.1 36.94 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.9 p -51.67 97.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -130.33 119.18 22.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -45.33 -55.6 5.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.22 145.41 5.05 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -139.09 139.12 37.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -133.78 160.03 38.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.05 -150.68 7.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -118.14 167.43 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -84.75 116.74 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.5 p -104.69 163.3 12.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -99.01 -62.36 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 m -59.47 177.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.422 HD12 ' OG ' ' A' ' 64' ' ' SER . 52.5 mt -118.17 146.71 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.01 129.78 53.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.471 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 51.1 ttt-85 -93.4 108.59 20.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 14.6 t30 -58.49 110.19 2.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.708 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.61 -55.72 3.72 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 19' ' ' ALA . 7.6 m120 -47.01 -41.09 15.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ASN . . . -33.92 142.11 0.22 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.55 0.691 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.09 120.1 4.48 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.626 2.217 . . . . 0.0 112.372 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.6 t -78.39 118.79 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.6 t -70.12 -51.22 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.6 ttt-85 -161.89 130.25 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' CB ' HG22 ' A' ' 44' ' ' VAL . 21.0 ptt180 -129.53 117.42 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.465 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -158.38 154.45 25.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -62.95 97.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.619 HD13 ' CD1' ' A' ' 110' ' ' TRP . 42.2 tp -94.27 162.07 14.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.476 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 33.7 m-85 -110.4 121.59 45.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -108.52 151.5 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.455 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 34.3 tt0 -108.18 160.55 15.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' SER . 2.4 m-20 -133.05 89.24 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ASP . 24.1 m -34.91 -49.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' SER . 46.3 p -37.0 118.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.91 -117.79 7.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 61.7 mtm -92.61 130.53 38.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 7.8 mptt -72.95 82.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -111.31 169.74 8.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -104.25 164.2 11.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -147.39 140.5 25.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -83.8 130.02 34.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 16.0 tpp180 -155.39 153.41 30.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 40.6 t-105 -84.49 108.44 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 25.4 m-85 -101.97 164.22 11.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' A' ' 24' ' ' ARG . 52.4 t -156.51 128.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.444 HD21 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -99.64 98.5 9.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 p -137.29 156.28 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.0 t70 40.75 49.0 2.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mt 40.66 48.76 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 4.9 t -151.86 169.63 21.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.5 mt -110.29 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 49' ' ' CYS . 81.1 m-85 -137.76 129.78 28.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.535 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 5.5 p90 -126.58 162.04 26.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -147.71 152.16 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HG3' HD21 ' A' ' 62' ' ' LEU . 36.1 mtt180 -38.96 -46.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -143.21 -178.43 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -65.2 -13.99 59.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -63.0 -30.31 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 57.44 44.43 21.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.04 -45.41 92.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.49 ' O ' HD23 ' A' ' 62' ' ' LEU . . . -159.42 118.09 0.81 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 53' ' ' TYR . 68.7 mt -53.56 125.54 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 60' ' ' GLY . 3.5 mt -81.83 -23.68 36.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.535 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 176.39 143.11 4.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.422 ' OG ' HD12 ' A' ' 13' ' ' ILE . 15.7 p -105.9 151.14 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.829 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.577 HG23 ' HE2' ' A' ' 70' ' ' PHE . 47.9 mt -127.03 122.99 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.49 110.13 16.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.671 HD13 ' HA ' ' A' ' 114' ' ' MET . 16.2 mt -69.85 -42.64 18.74 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.672 ' HB3' HG13 ' A' ' 120' ' ' VAL . 64.4 Cg_exo -47.97 -25.74 6.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.433 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 59.9 m -92.12 -23.52 19.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.577 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.9 m-85 -82.96 156.19 23.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -119.79 106.06 11.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.422 HG21 ' CD2' ' A' ' 115' ' ' LEU . 5.2 mm -80.26 116.7 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.96 141.64 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.03 133.68 55.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.7 mt -45.77 165.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 77' ' ' SER . 9.4 t -125.24 160.34 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 76' ' ' THR . 55.0 p -35.26 -46.94 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.6 -51.69 15.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.58 85.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 77' ' ' SER . 30.7 m170 -84.12 79.33 9.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.8 mt -104.35 150.89 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -80.62 -44.48 18.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.92 141.42 21.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -102.44 161.78 13.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.552 ' CD1' ' HA2' ' A' ' 104' ' ' GLY . 94.8 m-85 57.38 39.92 27.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.01 147.62 34.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.4 p90 -128.86 -177.06 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -143.91 147.21 33.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.29 119.74 34.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.47 145.79 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 34.3 t-80 -139.83 140.05 23.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.579 0.704 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.2 Cg_endo -73.78 -48.87 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -89.81 10.14 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.483 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 45.0 mtm -147.52 -175.12 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.404 HH11 ' CB ' ' A' ' 95' ' ' ARG . 1.1 ptp180 -93.69 178.65 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.3 m -87.13 121.24 29.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -91.55 156.55 17.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -133.96 120.38 20.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -122.61 151.27 41.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 13.9 p -150.75 160.56 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.487 HG21 ' O ' ' A' ' 106' ' ' GLU . 25.6 p -125.49 -177.53 3.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.97 -44.56 20.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.0 p -131.33 162.38 30.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.552 ' HA2' ' CD1' ' A' ' 85' ' ' TYR . . . -50.94 -35.66 32.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.473 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -59.65 -64.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 101' ' ' THR . 8.4 mt-10 -46.26 -21.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -83.5 -45.98 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.24 -34.17 74.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.24 -40.05 82.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.619 ' CD1' HD13 ' A' ' 27' ' ' LEU . 11.7 m95 -76.53 -37.94 55.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 5.2 mtp -65.53 -61.88 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -38.91 -39.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HB1' ' HG ' ' A' ' 45' ' ' LEU . . . -77.06 -63.5 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.671 ' HA ' HD13 ' A' ' 67' ' ' LEU . 26.0 mtt -42.31 -54.23 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 115' ' ' LEU . 3.9 mm? -54.9 -39.55 68.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.01 -26.38 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.1 -2.74 28.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -102.78 -36.62 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.903 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -66.03 -10.51 40.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.726 ' N ' HD13 ' A' ' 119' ' ' LEU . 4.0 p -82.61 129.58 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -114.26 76.46 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 122' ' ' THR . 7.0 t -122.55 122.26 38.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 94.3 p -67.4 140.12 57.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 68.38 166.84 4.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.11 -177.55 3.91 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -64.48 -58.81 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.1 p -67.8 154.37 41.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t 39.29 41.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -103.17 172.41 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.86 113.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -144.63 136.46 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -148.53 147.78 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.77 -151.13 7.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.536 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -149.19 176.19 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -56.24 -56.65 18.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -61.18 146.43 47.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -49.8 -54.96 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 m -56.54 170.92 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.01 147.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -107.61 133.25 52.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 16' ' ' ASN . 45.9 ttt-85 -85.45 162.6 18.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' A' ' 15' ' ' ARG . 8.7 t30 -122.75 97.32 44.33 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.69 -56.78 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' ALA . 2.2 m-80 -41.8 -51.81 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' ASN . . . -37.81 102.36 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 111.081 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -44.68 127.84 8.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.36 130.47 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -74.84 -52.0 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 ttp85 -172.27 131.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HB2' HG22 ' A' ' 44' ' ' VAL . 35.9 ptt180 -122.17 126.4 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.65 157.59 27.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.485 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 83.5 m95 -67.56 86.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.625 HD13 ' NE1' ' A' ' 110' ' ' TRP . 21.1 tp -86.71 156.35 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 40' ' ' LYS . 72.4 m-85 -92.75 140.72 29.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HE3' ' CE2' ' A' ' 97' ' ' TYR . 7.3 tptm -119.97 130.63 54.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -84.26 143.89 29.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -114.94 139.08 50.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.0 m -75.62 -38.64 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 56.5 p -48.68 141.08 7.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.5 -138.12 6.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.2 mtp -71.04 171.6 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -87.66 70.34 9.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 mt -86.74 159.27 19.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CE3' ' SG ' ' A' ' 100' ' ' CYS . 80.0 m95 -104.68 143.18 33.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -122.4 137.79 54.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 28' ' ' TYR . 8.3 tptm -88.77 117.41 27.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -137.31 169.53 17.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.485 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 43.3 t-105 -95.23 116.57 28.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -111.67 148.14 34.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.573 HG22 ' HB2' ' A' ' 24' ' ' ARG . 57.0 t -138.6 115.76 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -90.47 100.42 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -148.81 154.21 39.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t70 53.06 45.07 29.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt 41.45 42.24 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.2 m -151.32 173.12 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.5 mt -112.67 137.39 51.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -147.66 122.36 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.4 p90 -121.65 153.87 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.519 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -132.74 174.65 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -55.14 -46.28 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -156.14 -178.08 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -50.68 -23.57 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -55.66 -28.16 53.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 54.85 49.65 17.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -98.61 96.08 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.64 121.74 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.519 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 78.1 mt -71.63 131.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -80.16 -26.72 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.494 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 178.19 130.15 1.37 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.539 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.8 p -95.81 151.93 18.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.602 HG23 ' HE2' ' A' ' 70' ' ' PHE . 45.2 mt -131.24 127.98 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.172 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.55 112.37 22.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 16.4 mt -71.28 -42.62 11.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.625 0.726 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.8 Cg_exo -47.95 -23.69 4.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.5 m -93.23 -27.31 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.602 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.4 m-85 -77.37 168.41 20.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -130.56 108.64 10.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.462 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.5 mm -80.05 114.16 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.47 135.81 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mt -49.99 150.01 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 69.6 mt -63.62 169.58 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 77' ' ' SER . 14.4 t -152.71 165.01 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 76' ' ' THR . 1.9 m -37.19 -41.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -45.82 -55.19 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -61.1 119.97 9.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -83.19 42.8 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.541 ' CD1' ' CD2' ' A' ' 98' ' ' TYR . 44.3 mt -110.95 122.37 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -94.91 40.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.409 ' HB2' HG22 ' A' ' 81' ' ' ILE . 18.3 mmt-85 -100.46 174.42 6.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -130.95 155.72 46.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 104' ' ' GLY . 70.5 m-85 55.2 37.36 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.9 158.31 33.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.588 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -133.8 -177.67 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 36.1 pttt -144.46 138.64 27.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.14 122.75 48.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.29 145.95 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 22.7 t-80 -135.19 140.52 34.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.44 -49.47 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -91.23 11.73 22.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.522 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 23.9 mtp -148.17 -175.45 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -89.95 -178.69 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.3 m -90.14 118.6 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.42 ' CE2' ' HE3' ' A' ' 29' ' ' LYS . 2.8 m-85 -87.81 163.01 16.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.541 ' CD2' ' CD1' ' A' ' 81' ' ' ILE . 49.9 m-85 -138.35 129.43 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -129.14 136.68 50.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.592 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 20.3 p -134.59 162.15 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.671 HG21 ' O ' ' A' ' 106' ' ' GLU . 1.5 p -136.28 -175.51 4.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.179 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.3 -42.68 75.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 1.1 t -155.35 174.32 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.556 ' N ' ' CD1' ' A' ' 85' ' ' TYR . . . -44.31 -48.08 8.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.607 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -52.42 -64.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.671 ' O ' HG21 ' A' ' 101' ' ' THR . 5.5 mm-40 -49.75 -18.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.92 -42.56 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 5.0 pt-20 -59.28 -45.09 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.607 HD11 ' CE ' ' A' ' 105' ' ' LYS . 41.1 mt -55.0 -37.04 66.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.625 ' NE1' HD13 ' A' ' 27' ' ' LEU . 28.1 m95 -79.43 -51.55 9.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 112' ' ' LYS . 7.6 mtp -53.88 -65.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 111' ' ' MET . 28.0 mmtt -34.28 -39.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.56 -60.76 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.579 ' HA ' HD13 ' A' ' 67' ' ' LEU . 36.3 mtt -43.78 -51.87 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 119' ' ' LEU . 3.0 mm? -55.38 -37.43 67.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -24.89 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.6 -18.79 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.55 -48.85 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -50.25 -17.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.906 ' N ' HD13 ' A' ' 119' ' ' LEU . 88.8 t -49.51 121.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -100.36 63.41 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 122' ' ' THR . 6.7 t -113.41 127.34 56.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.3 m -142.93 159.14 42.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.21 -146.65 15.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.0 46.3 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.0 t -86.51 95.03 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.1 p -122.15 156.48 33.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -58.65 106.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -153.24 126.16 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.28 152.62 17.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 m -162.68 165.08 26.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.821 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 m -99.82 -57.35 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.95 -80.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.39 142.74 50.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.2 mtt-85 -82.51 103.55 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.3 p -97.98 -44.86 6.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -75.08 164.31 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 m -69.26 176.66 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.615 HD13 HD21 ' A' ' 66' ' ' LEU . 56.4 mt -118.73 137.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -89.32 130.68 35.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -94.39 134.16 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 40.6 t30 -89.77 112.08 49.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.588 0.709 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.92 -63.0 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' ALA . 1.4 m-80 -40.16 -48.69 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 16' ' ' ASN . . . -33.98 102.16 0.21 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.539 0.685 . . . . 0.0 111.067 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.83 122.94 5.54 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 2.271 . . . . 0.0 112.304 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.68 123.3 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.31 -49.17 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -171.09 140.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' CB ' HG22 ' A' ' 44' ' ' VAL . 17.4 ptt180 -130.46 123.06 28.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.93 160.17 29.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -73.72 89.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' CD1' ' A' ' 110' ' ' TRP . 18.1 tp -87.39 153.86 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -100.38 129.3 46.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -122.22 139.7 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -79.55 161.92 25.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.65 141.03 44.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.7 m -78.14 -46.62 20.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.5 p -48.79 133.66 17.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.11 -100.15 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -119.09 162.14 19.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -86.06 49.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.0 mt -82.77 166.63 18.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -96.98 124.21 40.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -104.11 138.45 40.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -83.05 134.36 35.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -157.78 149.91 22.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.6 t-105 -76.87 105.53 8.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 41.5 m-85 -102.97 140.37 37.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG22 ' CB ' ' A' ' 24' ' ' ARG . 77.5 t -131.39 137.13 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.57 99.85 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 p -141.82 155.46 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 48' ' ' LEU . 7.4 t70 44.96 54.86 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ASP . 2.4 mm? 35.81 40.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 72.0 m -147.29 178.33 8.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.6 mt -114.15 133.81 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -137.5 127.0 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 19.3 p90 -129.45 159.11 37.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.556 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -140.02 178.62 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.479 ' HG3' HD21 ' A' ' 62' ' ' LEU . 54.6 mtt180 -53.89 -49.47 68.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -153.67 -176.25 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.71 -30.35 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -49.11 -19.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 47.51 50.67 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -104.19 105.0 15.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.08 123.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.613 HG22 ' H ' ' A' ' 63' ' ' GLY . 91.4 mt -78.34 134.79 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.479 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -86.64 -15.79 38.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.613 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 172.31 137.5 2.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.3 p -104.41 145.7 29.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.916 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.69 HG23 ' HE2' ' A' ' 70' ' ' PHE . 39.9 mt -120.71 125.65 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.615 HD21 HD13 ' A' ' 13' ' ' ILE . 4.2 mm? -85.12 110.83 19.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.9 mt -68.6 -43.82 31.23 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 110.95 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.8 Cg_exo -47.96 -27.01 8.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 t -90.63 -23.9 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.69 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.4 m-85 -83.04 159.08 22.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -122.72 107.1 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mm -80.06 117.2 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.18 135.11 20.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -52.92 143.41 17.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.4 mt -55.42 176.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.523 HG23 ' HB2' ' A' ' 78' ' ' GLU . 10.1 t -161.74 162.69 29.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 76' ' ' THR . 30.4 t -34.71 -48.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.523 ' HB2' HG23 ' A' ' 76' ' ' THR . 4.6 mm-40 -41.95 -48.9 4.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.5 134.59 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -92.84 29.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.421 HG22 ' HB2' ' A' ' 83' ' ' ARG . 11.9 mt -116.08 116.89 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -86.54 34.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.421 ' HB2' HG22 ' A' ' 81' ' ' ILE . 11.5 mmt180 -99.7 156.3 17.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -117.47 175.56 5.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 49.46 34.28 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.458 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -131.91 165.12 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.484 ' HB3' ' HE1' ' A' ' 111' ' ' MET . 2.3 p90 -142.33 -178.04 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HD2' HG21 ' A' ' 96' ' ' THR . 12.6 pttm -143.3 153.79 43.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.51 122.83 36.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.89 147.2 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 48.5 t-80 -139.36 139.84 23.97 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.598 0.714 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.6 Cg_endo -73.15 -49.25 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -91.41 15.76 11.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.502 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 32.9 mtm -153.51 -175.03 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -92.98 -176.38 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.441 HG21 ' HD2' ' A' ' 88' ' ' LYS . 35.2 m -91.2 124.13 35.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.55 164.41 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -138.24 141.41 39.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -143.18 137.42 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.458 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 3.4 p -137.89 159.12 42.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 106' ' ' GLU . 34.1 p -130.8 179.96 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.68 -42.82 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.7 p -140.01 173.86 11.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.31 -36.17 74.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.541 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.588 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -59.25 -64.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.408 ' O ' HG21 ' A' ' 101' ' ' THR . 6.6 mm-40 -47.76 -19.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.43 -45.2 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.86 -38.66 79.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.588 HD11 ' CE ' ' A' ' 105' ' ' LYS . 34.3 mt -61.91 -35.58 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.606 ' CD1' HD13 ' A' ' 27' ' ' LEU . 19.8 m95 -80.33 -52.41 7.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.484 ' HE1' ' HB3' ' A' ' 87' ' ' PHE . 8.4 mtp -55.9 -65.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' MET . 45.7 mmtm -34.62 -39.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.52 -43.57 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.058 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.528 ' HA ' HD13 ' A' ' 67' ' ' LEU . 26.3 mtt -59.08 -54.42 47.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 115' ' ' LEU . 3.4 mm? -53.56 -33.72 55.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.705 ' HA ' HD23 ' A' ' 119' ' ' LEU . 3.3 t70 -63.44 -36.13 82.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -84.33 -50.77 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.03 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.705 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.1 pp -41.06 -33.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 117' ' ' ALA . 94.9 t -43.34 133.22 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -103.99 58.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 122' ' ' THR . 14.6 t -106.78 39.98 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.15 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.1 t -135.22 171.66 14.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.32 -93.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.24 42.75 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.9 p -41.87 -46.75 4.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.0 t -150.09 140.71 22.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -127.34 177.87 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -155.49 150.6 26.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.01 157.88 8.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -166.82 117.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -62.48 -56.97 13.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.31 118.91 2.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -73.07 114.53 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -81.35 133.22 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.6 m -85.52 -61.24 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -47.62 -59.45 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.6 m -113.07 173.97 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.8 mt -107.82 141.3 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -108.47 129.6 55.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.702 HH11 HD11 ' A' ' 61' ' ' ILE . 10.3 ttp-105 -68.14 146.64 53.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -109.14 141.87 24.36 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.648 0.737 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.58 -51.62 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -51.23 -48.47 62.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.36 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.573 0.701 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.52 143.3 8.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.6 t -98.41 124.25 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.3 -54.19 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.467 HH21 HD22 ' A' ' 109' ' ' LEU . 18.1 tpp180 -166.66 154.94 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.461 ' HB3' HG22 ' A' ' 44' ' ' VAL . 42.4 ptt85 -141.89 114.62 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.78 150.51 22.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.449 ' CG ' ' HE3' ' A' ' 40' ' ' LYS . 91.0 m95 -57.85 96.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.775 HD13 ' CD1' ' A' ' 110' ' ' TRP . 24.2 tp -91.76 153.35 19.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -104.4 113.96 27.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -100.27 153.9 18.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.407 ' CG ' ' HB3' ' A' ' 36' ' ' LYS . 1.9 tp60 -90.93 160.97 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -119.47 117.22 27.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 95' ' ' ARG . 3.5 m -81.61 45.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.0 p -137.49 107.62 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.82 -80.57 1.06 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ttt -126.24 131.6 51.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HB3' ' CG ' ' A' ' 30' ' ' GLN . 44.4 mmtm -70.01 81.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.9 mt -98.46 167.0 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -101.07 127.92 47.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -109.64 148.54 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.449 ' HE3' ' CG ' ' A' ' 26' ' ' TRP . 28.3 tptt -97.44 120.84 38.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttp-105 -154.88 166.83 32.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -83.53 128.74 34.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 35.2 m-85 -128.83 135.22 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 24' ' ' ARG . 31.3 t -128.62 134.4 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -101.99 99.39 9.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 p -138.13 156.82 47.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.6 t70 43.12 45.24 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mp 43.79 44.14 5.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.8 t -145.77 166.09 26.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.85 126.15 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -128.27 140.33 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 4.5 p90 -136.46 150.04 48.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -136.83 150.64 48.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.839 ' HG3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -33.18 -36.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 0.9 OUTLIER -168.93 177.71 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -44.28 -32.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -41.08 -28.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 30.1 mt-10 60.26 41.81 16.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 60' ' ' GLY . 7.6 mt-10 -75.61 -176.27 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -34.89 103.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.702 HD11 HH11 ' A' ' 15' ' ' ARG . 56.6 mt -40.5 134.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 111.14 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.839 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.7 mt -84.67 -31.16 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -178.4 147.27 7.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.0 p -107.35 161.55 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.614 HG23 ' HE2' ' A' ' 70' ' ' PHE . 52.1 mt -135.49 123.25 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.07 115.14 21.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 20.6 mt -76.77 -42.04 2.81 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.603 0.716 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -47.96 -24.52 5.32 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.9 p -94.18 -22.17 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.614 ' HE2' HG23 ' A' ' 65' ' ' ILE . 8.3 m-85 -83.15 157.78 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -121.11 106.47 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 mm -80.17 119.04 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.95 134.29 18.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mt -43.56 146.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.488 HD21 ' C ' ' A' ' 87' ' ' PHE . 42.8 mt -65.16 154.42 38.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.3 p -129.15 -178.98 4.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 m -63.37 -43.73 96.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -51.45 -43.49 62.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -46.16 -27.91 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.3 m170 58.78 25.82 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.598 ' CD1' ' CD2' ' A' ' 98' ' ' TYR . 97.2 mt -100.19 -46.72 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.6 35.83 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' CB ' HG22 ' A' ' 81' ' ' ILE . 9.7 tpt180 -107.71 119.7 40.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -71.55 176.3 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 41.87 41.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -144.33 161.4 39.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' C ' HD21 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -143.84 -177.83 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.2 pttp -142.51 145.23 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -117.22 117.1 28.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.11 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.79 144.21 25.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 17.2 t-80 -131.89 140.58 38.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.65 -45.65 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -96.9 11.03 37.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.528 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.0 mtp -148.01 -177.8 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 32' ' ' SER . 17.1 ptt180 -84.39 -175.95 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.478 HG22 ' CE1' ' A' ' 98' ' ' TYR . 98.9 m -99.53 119.75 38.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.413 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 2.8 m-85 -87.82 168.41 12.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.598 ' CD2' ' CD1' ' A' ' 81' ' ' ILE . 28.8 m-85 -145.99 127.45 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -126.86 152.79 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 17.5 p -147.62 159.95 43.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.642 HG21 ' O ' ' A' ' 106' ' ' GLU . 50.8 p -127.39 -175.09 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.38 -44.33 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.0 p -131.06 171.58 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.55 -40.24 77.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.594 ' HE2' HD11 ' A' ' 109' ' ' LEU . 21.1 tptm -55.47 -61.96 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.298 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.642 ' O ' HG21 ' A' ' 101' ' ' THR . 11.5 mm-40 -49.5 -20.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 6.5 ttt -89.31 -38.56 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -69.0 -35.16 76.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.594 HD11 ' HE2' ' A' ' 105' ' ' LYS . 82.3 mt -67.28 -40.6 86.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.775 ' CD1' HD13 ' A' ' 27' ' ' LEU . 20.7 m95 -76.06 -47.83 23.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 112' ' ' LYS . 11.8 mmm -60.06 -62.66 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' MET . 14.6 mmtp -34.8 -42.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.65 -63.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.494 ' HA ' HD13 ' A' ' 67' ' ' LEU . 27.0 mtt -39.06 -55.74 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.65 -38.62 60.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.65 -38.78 73.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.466 ' O ' HG12 ' A' ' 120' ' ' VAL . . . -81.55 -17.03 49.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 114' ' ' MET . . . -90.27 -44.81 9.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 120' ' ' VAL . 0.6 OUTLIER -70.66 -23.41 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 117' ' ' ALA . 7.2 p -33.47 125.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -96.47 44.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 124' ' ' GLY . 11.4 t -96.85 -10.61 26.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 122' ' ' THR . 29.2 t 34.89 46.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.465 ' H ' HG23 ' A' ' 122' ' ' THR . . . -42.29 -83.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.15 140.58 10.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 85.4 p -93.68 143.98 25.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.0 p -54.98 106.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -126.88 -41.01 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.347 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 45.81 46.81 12.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.6 41.25 1.25 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -61.86 139.19 58.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -115.95 -57.35 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.55 -163.29 26.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -133.64 -53.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 70.21 41.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t -106.56 93.89 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.75 -60.25 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -118.22 172.56 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.7 mt -116.03 135.86 54.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -114.1 130.2 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HD3' HD11 ' A' ' 61' ' ' ILE . 41.9 ttp85 -61.3 163.23 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -126.19 94.12 41.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -43.56 -45.6 10.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.32 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -56.86 -48.11 78.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.8 105.61 0.51 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.76 142.7 7.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.9 t -94.11 122.14 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.26 -52.78 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 23' ' ' ARG . 17.7 ttm105 -167.42 140.24 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -130.67 127.3 38.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.41 160.08 31.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.517 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 92.5 m95 -72.96 90.12 1.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.83 0.347 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.633 HD13 ' CD1' ' A' ' 110' ' ' TRP . 35.2 tp -85.9 161.66 18.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 50.0 m-85 -111.33 128.02 55.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -109.76 150.67 28.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -83.66 147.27 27.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -137.51 -176.86 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' THR . 7.7 t -108.05 -71.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 32' ' ' SER . 72.0 p 33.83 36.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' SER . . . 85.45 -37.73 3.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.511 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' SER . 57.3 mtp -124.89 139.01 54.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 81.38 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mt -111.65 170.04 8.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -103.29 151.79 22.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -124.56 146.1 49.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -89.0 125.64 35.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -149.7 157.83 43.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 33.3 t-105 -88.93 106.5 18.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 14.1 m-85 -101.2 151.89 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -144.98 132.25 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.04 101.29 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -139.4 145.68 39.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 49.03 49.18 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.3 mt 40.59 44.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.8 t -148.7 163.2 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.5 mt -101.0 135.94 41.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -142.05 122.29 13.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.485 ' CE2' ' O ' ' A' ' 63' ' ' GLY . 31.7 p90 -124.43 148.07 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -126.68 -178.31 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 ptt85 -76.67 -22.93 53.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -163.95 174.53 11.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.71 -8.03 5.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -69.24 -21.36 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . 28.5 mt-10 48.56 53.42 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -107.23 70.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.67 106.79 2.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG1' ' CE2' ' A' ' 53' ' ' TYR . 96.0 mt -65.63 130.12 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.27 -30.19 57.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.485 ' O ' ' CE2' ' A' ' 52' ' ' TYR . . . -177.31 137.85 3.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.434 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -102.03 147.83 26.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.666 HG23 ' HE2' ' A' ' 70' ' ' PHE . 48.4 mt -124.87 122.27 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.33 111.0 16.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.6 mt -69.94 -43.04 19.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.6 Cg_exo -47.95 -24.07 4.87 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 62.4 m -93.97 -22.47 18.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.666 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.1 m-85 -83.73 162.36 20.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.53 108.24 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.459 HG21 ' CD2' ' A' ' 115' ' ' LEU . 3.9 mm -80.28 114.41 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.63 135.72 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.47 134.26 50.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 mt -41.65 164.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 78' ' ' GLU . 74.1 p -154.29 164.97 37.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 76' ' ' THR . 83.8 p -34.21 -35.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' THR . 30.3 mt-10 -49.62 -52.1 32.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 76' ' ' THR . 1.0 OUTLIER -81.7 116.43 21.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -94.51 40.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.672 HD11 ' CD2' ' A' ' 98' ' ' TYR . 83.0 mt -77.43 146.7 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -82.77 -37.14 24.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' H ' HG22 ' A' ' 81' ' ' ILE . 17.7 mmt180 -62.23 147.41 48.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -116.35 -178.08 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 51.05 37.82 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 99' ' ' PHE . . . -126.28 169.85 12.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -135.1 -177.79 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -142.38 150.86 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.49 119.27 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.27 141.9 28.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.062 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 24.2 t-80 -134.11 140.33 35.83 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.633 0.73 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.38 -49.25 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -91.18 9.79 29.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.524 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 28.8 mtp -147.7 -176.54 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -89.63 179.95 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.0 m -90.74 121.0 32.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -87.76 163.71 16.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.672 ' CD2' HD11 ' A' ' 81' ' ' ILE . 24.8 m-85 -139.56 127.12 21.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.441 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 9.1 m-85 -129.24 147.7 51.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 86' ' ' ALA . 8.3 p -144.11 162.72 35.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.496 HG21 ' O ' ' A' ' 106' ' ' GLU . 36.5 p -130.34 -177.57 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -42.51 24.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -136.79 175.95 9.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.79 -37.59 90.57 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -58.57 -64.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.496 ' O ' HG21 ' A' ' 101' ' ' THR . 5.2 mm-40 -45.4 -21.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.7 ttt -87.38 -47.81 8.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.11 -28.8 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.474 ' HB3' ' NE ' ' A' ' 23' ' ' ARG . 67.9 mt -74.64 -32.11 62.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.633 ' CD1' HD13 ' A' ' 27' ' ' LEU . 12.4 m95 -82.45 -43.42 17.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' LYS . 13.8 mtp -63.75 -61.84 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' MET . 7.3 mmmm -37.52 -41.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.24 -61.4 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.439 ' HA ' HD13 ' A' ' 67' ' ' LEU . 22.9 mtt -43.03 -56.41 3.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.0 mm? -50.9 -39.98 55.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.708 ' HA ' HD23 ' A' ' 119' ' ' LEU . 1.9 t70 -57.9 -33.51 68.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -85.73 -47.84 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 120' ' ' VAL . . . -55.31 -54.58 41.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.708 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -40.14 -27.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 117' ' ' ALA . 98.2 t -55.94 132.43 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -110.59 47.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.425 ' H ' HG12 ' A' ' 120' ' ' VAL . 14.2 t -86.56 28.21 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 66.6 m -75.89 144.88 40.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -105.0 -81.21 1.45 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.27 88.97 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.9 t -128.92 169.67 14.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 83.2 p -108.56 149.36 28.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -81.0 165.6 21.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -113.11 170.4 8.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.26 79.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -117.26 163.67 15.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.365 . . . . 0.0 110.855 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -87.45 138.44 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.12 -174.09 21.22 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.08 141.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.332 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -120.44 97.61 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' ASN . 7.7 m -127.6 119.71 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' SER . 26.9 m120 -38.4 -61.84 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -87.75 178.44 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.417 ' CD1' HD21 ' A' ' 66' ' ' LEU . 16.3 mt -124.83 138.32 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -102.39 136.39 42.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 ttt85 -85.46 122.74 30.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -81.42 113.49 42.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.85 -55.66 3.44 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.388 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ALA . 2.5 m-80 -45.98 -50.56 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASN . . . -34.68 101.75 0.21 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.52 142.53 6.74 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -98.34 125.74 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.84 -57.29 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -169.53 134.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.696 ' HB3' HG22 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -122.79 132.38 54.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.19 152.12 22.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.406 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 78.9 m95 -61.42 98.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.332 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.751 HD13 ' CD1' ' A' ' 110' ' ' TRP . 22.0 tp -102.14 154.83 18.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -105.35 145.71 30.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -129.45 157.36 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -98.42 136.58 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -111.45 160.31 17.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -103.64 -64.69 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -45.64 -34.56 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.6 -139.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.7 mtm -115.68 38.28 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp 54.51 41.16 32.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -108.85 -179.44 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -107.38 125.12 50.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -100.15 151.39 21.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -95.91 114.83 26.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mmt-85 -141.7 144.15 33.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.408 ' O ' ' CB ' ' A' ' 52' ' ' TYR . 23.0 t-105 -69.47 131.21 44.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 36.9 m-85 -126.8 137.0 53.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.696 HG22 ' HB3' ' A' ' 24' ' ' ARG . 55.9 t -131.58 129.21 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.05 100.27 11.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.87 153.29 40.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t70 54.47 34.95 22.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 117' ' ' ALA . 2.1 mm? 52.01 37.2 20.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 t -146.44 163.61 35.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -99.03 126.9 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -132.11 125.45 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 29.6 p90 -128.3 158.78 37.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -135.33 -177.75 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.94 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -63.44 -30.68 71.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -165.81 178.72 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -50.78 -30.72 14.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -27.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 27.3 mt-10 56.09 43.69 26.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -103.19 95.72 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.45 113.76 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.422 HG12 ' CE2' ' A' ' 53' ' ' TYR . 96.6 mt -76.49 125.12 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 62' ' ' LEU . 1.1 mt -72.46 -30.9 64.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.505 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -179.11 140.08 4.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.427 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.4 p -98.62 152.95 19.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.606 HG23 ' HE2' ' A' ' 70' ' ' PHE . 51.4 mt -130.9 124.46 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.2 mm? -82.11 115.76 21.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.624 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.1 mt -73.74 -43.34 6.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.5 Cg_exo -47.96 -25.14 5.95 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 p -92.16 -23.84 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.606 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.3 m-85 -84.51 148.52 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -111.2 109.59 19.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.5 mm -80.2 117.17 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.25 137.03 20.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.26 142.58 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.403 HD23 ' HG2' ' A' ' 88' ' ' LYS . 86.2 mt -55.13 161.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.6 t -126.19 165.42 18.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.8 p -47.4 -36.85 10.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' ASP . 5.3 mm-40 -61.4 -33.97 74.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 78' ' ' GLU . 1.5 p-10 -35.44 -47.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.404 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 13.9 m170 61.62 29.92 18.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 85.2 mt -109.36 130.72 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -87.72 41.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -133.17 103.21 5.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -80.34 176.47 9.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 58.67 34.41 23.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -132.23 169.7 16.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.1 p90 -141.51 -177.22 5.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.403 ' HG2' HD23 ' A' ' 75' ' ' LEU . 34.9 pttt -145.84 138.69 25.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.488 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -110.77 120.22 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.81 144.77 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 19.8 t-80 -129.79 140.3 38.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.0 Cg_endo -73.37 -46.56 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -95.62 9.79 39.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.524 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.8 mtp -147.82 -179.88 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -82.7 -175.21 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.8 m -96.89 122.65 40.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -88.18 168.24 12.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.7 138.55 32.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -143.5 138.2 29.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 8.3 p -133.74 162.03 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.43 HG21 ' C ' ' A' ' 106' ' ' GLU . 48.5 p -127.3 -175.38 3.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.61 -40.74 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -131.24 170.3 14.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.42 -46.72 79.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.758 ' HD2' HD21 ' A' ' 109' ' ' LEU . 7.8 tppt? -53.23 -64.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.43 ' C ' HG21 ' A' ' 101' ' ' THR . 13.0 mt-10 -40.24 -26.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' LYS . 2.3 ttt -87.24 -40.67 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.6 pt-20 -64.65 -39.47 93.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.758 HD21 ' HD2' ' A' ' 105' ' ' LYS . 31.2 mt -66.03 -39.37 90.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.751 ' CD1' HD13 ' A' ' 27' ' ' LEU . 11.2 m95 -74.33 -41.71 60.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.439 ' HE3' ' HB3' ' A' ' 87' ' ' PHE . 6.0 mtt -66.09 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' MET . 19.8 mmmt -37.23 -41.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -77.03 -63.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.572 ' HA ' HD13 ' A' ' 67' ' ' LEU . 23.1 mtt -38.3 -50.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 115' ' ' LEU . 3.8 mm? -57.5 -37.43 72.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.609 ' HA ' HD23 ' A' ' 119' ' ' LEU . 5.9 t0 -54.17 -43.54 70.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -82.69 -50.5 8.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.64 -47.06 58.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.6 pp -48.36 -29.8 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 117' ' ' ALA . 79.4 t -52.4 138.58 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -115.16 88.18 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 122' ' ' THR . 14.4 t -129.47 38.73 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 t -136.95 173.11 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -74.46 -172.23 27.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.98 39.07 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.729 2.286 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 77.7 p -93.61 107.68 19.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.4 t -151.55 123.87 8.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 m -45.91 127.01 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -114.34 96.17 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.93 152.05 12.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -118.27 106.78 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 m -105.44 91.34 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.34 76.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -75.1 118.77 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 46.1 40.22 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -58.26 129.85 43.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -70.49 -47.53 60.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -122.97 171.11 9.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.501 HD13 HD21 ' A' ' 66' ' ' LEU . 22.0 mt -121.27 153.61 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' HG22 ' A' ' 13' ' ' ILE . 16.4 tptm -133.66 131.81 39.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 5.1 ttp-105 -63.21 122.04 15.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.45 ' ND2' ' HD2' ' A' ' 17' ' ' PRO . 2.8 t30 -70.78 142.31 88.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HD2' ' ND2' ' A' ' 16' ' ' ASN . 63.9 Cg_endo -77.91 -49.14 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.371 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -52.88 -44.7 67.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.22 136.21 80.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 111.057 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.95 173.84 12.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -112.05 124.22 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.81 -59.89 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -161.76 142.02 10.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.58 ' HB2' HG22 ' A' ' 44' ' ' VAL . 10.0 ptp180 -132.34 122.88 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.79 168.9 31.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -81.51 99.22 8.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD13 ' CD1' ' A' ' 110' ' ' TRP . 23.6 tp -99.63 149.14 23.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -94.4 127.16 40.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -109.76 136.03 49.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -89.34 165.65 14.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -100.01 170.31 8.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -111.33 -48.11 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.3 t -91.26 171.62 9.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.181 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.9 -109.32 0.7 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 83.1 mmm -99.14 175.77 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.69 43.01 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.2 mt -73.81 164.94 25.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -93.55 133.48 36.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -118.61 141.1 48.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -86.21 135.2 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -159.36 142.16 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 26.5 t-105 -72.49 119.89 17.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -115.46 151.89 33.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 24' ' ' ARG . 53.3 t -143.19 132.65 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.55 105.94 16.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -141.84 151.59 42.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 t70 43.51 37.74 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.618 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.8 mm? 52.51 41.68 31.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.583 ' SG ' ' CZ ' ' A' ' 51' ' ' PHE . 46.4 t -142.42 154.45 44.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.3 mt -94.31 130.48 40.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.583 ' CZ ' ' SG ' ' A' ' 49' ' ' CYS . 56.1 m-85 -141.73 131.61 24.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.7 p90 -131.99 164.71 25.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -144.64 160.19 41.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.51 ' HG3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -41.2 -44.53 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -147.42 -175.33 4.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 2.9 pt-20 -66.14 -12.48 56.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -54.44 -23.96 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.05 53.89 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -121.89 103.27 8.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.05 119.26 0.1 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.471 HG12 ' CE2' ' A' ' 53' ' ' TYR . 80.7 mt -79.97 129.77 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.51 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -81.11 -28.69 35.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.543 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -179.41 130.65 1.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -98.54 148.18 24.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.655 HG23 ' HE2' ' A' ' 70' ' ' PHE . 38.9 mt -125.87 123.34 63.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.501 HD21 HD13 ' A' ' 13' ' ' ILE . 4.1 mm? -80.24 110.6 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.0 mt -70.15 -42.21 16.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.6 Cg_exo -47.94 -25.18 5.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.435 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 10.7 m -92.67 -25.58 18.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.655 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.3 m-85 -79.9 162.13 25.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -123.82 106.98 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.418 HG21 ' CD2' ' A' ' 115' ' ' LEU . 4.8 mm -80.84 115.03 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.42 139.63 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -51.28 135.03 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 50.2 mt -43.72 163.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.8 p -127.54 -176.51 3.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -66.08 -18.32 65.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -88.84 21.02 3.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 80' ' ' HIS . 1.7 p-10 -91.47 -43.3 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.458 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 8.8 m170 49.53 39.59 17.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.2 mt -101.05 149.58 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -86.28 -42.94 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -65.73 145.28 56.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 85' ' ' TYR . 13.9 ptmt -111.77 172.73 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.464 ' CD1' ' HG3' ' A' ' 84' ' ' LYS . 2.8 m-85 62.21 39.65 12.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -125.2 164.73 19.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -134.47 175.67 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 10.2 pttp -134.89 151.35 50.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.24 119.95 32.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.07 137.76 32.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 13.5 t-80 -125.07 140.75 36.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.532 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.76 -49.18 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -92.04 6.64 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.51 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 26.3 mtp -144.44 -178.93 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -175.0 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.6 m -93.85 120.82 34.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -87.79 169.88 11.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -141.76 139.57 32.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -143.5 138.14 29.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.66 161.78 33.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.436 HG21 ' O ' ' A' ' 106' ' ' GLU . 41.0 p -127.62 -175.13 3.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -87.43 -38.24 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.2 p -139.73 178.62 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.06 -32.78 85.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.52 ' HZ2' HD11 ' A' ' 109' ' ' LEU . 13.3 tptp -65.84 -62.2 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.436 ' O ' HG21 ' A' ' 101' ' ' THR . 5.0 mm-40 -46.36 -20.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.3 ttt -88.02 -41.56 13.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -64.38 -40.67 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.52 HD11 ' HZ2' ' A' ' 105' ' ' LYS . 30.9 mt -62.55 -34.79 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.539 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.9 m95 -79.68 -44.67 20.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' LYS . 8.0 mtp -62.43 -63.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' MET . 15.1 mmtp -36.64 -42.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -78.32 -62.66 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.522 ' HA ' HD13 ' A' ' 67' ' ' LEU . 37.5 mtt -39.78 -56.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 115' ' ' LEU . 4.0 mm? -51.64 -36.22 45.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.771 ' HA ' HD23 ' A' ' 119' ' ' LEU . 3.7 t70 -56.59 -33.6 66.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.474 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -87.32 -48.28 8.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.53 -47.87 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -46.46 -31.1 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.3 t -49.59 131.61 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -105.54 58.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.1 t -107.41 29.8 6.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.4 m -109.81 175.62 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 105.99 -145.18 15.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -43.75 126.3 5.62 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.28 . . . . 0.0 112.32 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.3 m -52.63 134.98 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.0 m -76.24 100.04 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -110.91 175.88 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -97.96 93.36 6.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.28 93.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -166.61 117.61 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -55.52 -17.09 4.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.6 -61.76 4.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -97.42 153.43 18.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.715 0.293 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -112.68 151.63 29.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' ASN . 7.7 t -121.71 168.4 11.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' SER . 45.4 t-20 -34.46 -47.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 p -121.85 162.19 21.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.471 ' CD1' HD21 ' A' ' 66' ' ' LEU . 39.6 mt -121.07 133.3 68.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -101.91 129.07 48.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HG2' ' CE2' ' A' ' 51' ' ' PHE . 5.4 mtp-105 -66.96 -179.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -133.76 94.3 19.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -43.02 -51.81 5.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.258 . . . . 0.0 112.382 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -52.15 -48.95 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.99 104.49 0.4 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.527 0.68 . . . . 0.0 111.097 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.11 128.53 14.17 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.396 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.5 t -79.71 124.22 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.7 t -63.43 -51.59 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 109' ' ' LEU . 5.2 ttp-105 -173.68 140.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.547 ' CB ' HG22 ' A' ' 44' ' ' VAL . 8.2 ptt85 -126.6 124.44 39.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.67 158.77 28.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -70.81 97.02 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' CD1' ' A' ' 110' ' ' TRP . 13.6 tp -96.79 141.14 30.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -88.3 141.17 28.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -133.81 139.47 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.78 155.48 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -112.44 117.38 32.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.8 t -61.32 -54.47 43.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 33' ' ' THR . 5.4 t -86.43 85.57 7.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.26 -124.72 1.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 75.6 mtp -123.86 39.99 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 42.85 37.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.433 ' C ' ' HE3' ' A' ' 39' ' ' LYS . 91.9 mt -87.97 163.32 16.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.441 ' C ' ' HE2' ' A' ' 39' ' ' LYS . 44.2 m95 -91.26 114.54 27.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HE2' ' C ' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -97.98 147.7 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -82.2 136.29 35.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -157.99 147.33 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -81.38 106.87 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 22.0 m-85 -104.85 138.96 40.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.547 HG22 ' CB ' ' A' ' 24' ' ' ARG . 45.9 t -130.39 131.52 65.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -98.27 101.47 12.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -140.77 152.79 45.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 43.6 53.51 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 36.41 49.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 86.7 m -151.74 175.98 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.5 mt -117.4 136.83 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.463 ' CE2' ' HG2' ' A' ' 15' ' ' ARG . 76.4 m-85 -141.86 135.96 30.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -133.53 146.42 51.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -131.05 168.01 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.777 ' HG3' HD21 ' A' ' 62' ' ' LEU . 89.3 mtt180 -49.28 -46.87 46.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -153.4 -179.78 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -55.2 -16.17 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -58.81 -11.19 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 40.97 51.38 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -112.66 114.08 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.71 113.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.522 HG12 ' CE2' ' A' ' 53' ' ' TYR . 69.2 mt -75.9 130.08 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.777 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -77.91 -24.83 48.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.92 144.34 5.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.9 p -107.16 146.37 31.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.571 HG23 ' HE2' ' A' ' 70' ' ' PHE . 45.1 mt -120.87 124.95 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.2 mm? -85.85 109.38 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.603 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.7 mt -66.61 -44.26 54.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.586 0.708 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.7 Cg_exo -47.95 -25.04 5.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.429 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 30.5 m -92.51 -21.78 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.571 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.9 m-85 -85.46 164.64 17.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -126.93 107.53 10.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -80.24 112.73 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.28 137.79 22.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -50.11 152.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.8 mt -66.26 155.95 35.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 p -128.57 170.85 12.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.8 m -51.43 -34.73 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.505 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 19.8 mt-10 -55.27 -55.05 35.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -49.03 125.7 11.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 78' ' ' GLU . 7.7 m170 -91.13 47.66 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.569 HG22 ' HB2' ' A' ' 83' ' ' ARG . 56.4 mt -121.65 -52.03 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 61.2 25.8 15.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.569 ' HB2' HG22 ' A' ' 81' ' ' ILE . 6.8 tpm_? -74.77 125.95 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 4.6 mmmt -67.4 161.51 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.586 ' CD1' ' HB3' ' A' ' 84' ' ' LYS . 8.6 m-85 37.19 28.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 84' ' ' LYS . . . -116.94 147.48 42.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -127.16 -176.17 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -143.45 148.53 36.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.39 119.91 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.54 136.35 33.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 16.7 t-80 -124.37 140.62 35.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -73.95 -48.37 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -93.21 9.31 36.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.523 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.5 mtp -146.52 179.55 7.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 95' ' ' ARG . 3.5 ptm85 -83.0 -175.87 6.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.0 m -94.0 120.87 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -87.79 161.78 17.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' A' ' 81' ' ' ILE . 59.4 m-85 -133.94 127.62 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -128.5 140.92 51.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 13.0 p -136.01 162.01 34.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.6 p -133.44 -177.64 4.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.1 -44.71 25.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.8 t -143.68 -175.12 4.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.79 -42.08 97.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.462 ' HE2' HD21 ' A' ' 109' ' ' LEU . 22.1 tptm -53.83 -64.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.303 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -47.59 -23.7 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.8 ttp -85.71 -40.73 15.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.98 -33.36 74.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.462 HD21 ' HE2' ' A' ' 105' ' ' LYS . 71.4 mt -69.7 -32.09 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.606 ' CD1' HD13 ' A' ' 27' ' ' LEU . 17.1 m95 -84.99 -43.67 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' LYS . 3.5 mtt -59.16 -67.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' MET . 1.4 mmpt? -34.31 -45.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.27 -63.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.483 ' HA ' HD13 ' A' ' 67' ' ' LEU . 26.5 mtt -41.69 -54.71 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 115' ' ' LEU . 3.8 mm? -52.95 -38.45 62.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.721 ' HA ' HD23 ' A' ' 119' ' ' LEU . 4.5 t0 -55.43 -42.16 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -81.61 -52.19 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.24 -50.87 48.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.721 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.6 pp -43.34 -28.51 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 117' ' ' ALA . 80.0 t -54.13 141.37 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -111.74 83.03 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 122' ' ' THR . 13.8 t -127.61 41.24 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.6 p -160.51 173.56 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.81 79.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.75 130.45 12.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.401 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.0 m -108.07 43.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.1 m -108.33 99.68 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 p -141.46 173.03 11.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.378 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 t -53.15 117.71 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.47 114.98 4.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.438 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -80.55 113.1 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -45.0 -58.59 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.26 71.9 1.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.02 145.97 29.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -103.22 105.82 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -132.02 141.05 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -42.95 -41.96 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -122.5 170.28 10.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.1 mt -108.12 141.44 23.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -121.92 137.08 54.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -63.94 169.87 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.446 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 14.8 t30 -116.61 143.18 30.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 16' ' ' ASN . 62.1 Cg_endo -78.0 -46.08 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -58.61 -43.54 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.01 111.66 3.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.42 116.73 4.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -52.97 128.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -72.96 -50.66 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -173.08 143.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -132.64 131.42 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.59 157.97 29.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.475 ' HB3' ' CE ' ' A' ' 40' ' ' LYS . 87.3 m95 -66.32 101.2 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.755 HD13 ' CD1' ' A' ' 110' ' ' TRP . 30.2 tp -100.41 161.2 13.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.606 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 6.1 m-30 -107.3 121.1 43.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -99.17 140.0 33.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 23.8 tt0 -99.52 108.63 21.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.45 125.51 28.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.3 t -87.06 45.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.0 p -127.88 125.29 39.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.55 -101.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.1 mtp -78.24 103.46 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -67.29 75.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.6 mt -101.5 173.22 6.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 30' ' ' GLN . 32.3 m95 -105.16 113.97 27.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 1.3 mptp? -96.25 119.86 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.606 ' HG2' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -73.26 130.25 39.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -153.17 173.0 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 30.0 t-105 -90.28 129.81 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.526 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 21.0 m-85 -123.63 158.47 31.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -150.23 135.42 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -104.65 98.15 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -138.46 156.25 47.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.02 32.7 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.4 mt 54.71 34.53 21.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 60.1 m -138.82 177.18 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -108.27 135.39 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -144.15 127.09 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 17.6 p90 -128.13 159.85 33.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.583 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -141.75 162.79 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.929 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -41.15 -49.73 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.78 -177.15 5.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.61 -18.42 11.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -59.46 -14.23 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 45.36 50.84 9.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.56 91.2 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.23 128.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 53' ' ' TYR . 94.1 mt -81.78 130.17 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -80.07 -29.05 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.41 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -173.82 141.56 6.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 p -108.75 150.26 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.598 HG23 ' HE2' ' A' ' 70' ' ' PHE . 44.0 mt -129.54 131.26 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.74 111.33 21.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.654 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 32.8 mt -72.81 -41.14 6.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.654 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 63.8 Cg_exo -47.92 -25.93 6.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 25.1 m -93.45 -25.49 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.598 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.3 m-85 -79.65 154.09 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -119.18 110.15 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.451 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.4 mm -80.2 120.17 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.57 135.99 21.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.79 135.04 51.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.445 HD23 ' HG2' ' A' ' 88' ' ' LYS . 84.0 mt -47.96 159.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 77' ' ' SER . 34.2 p -141.96 173.76 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 28.8 t -35.24 -53.74 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -44.54 -45.48 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 76' ' ' THR . 1.9 m-20 -83.77 74.98 10.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 77' ' ' SER . 34.2 m170 -78.94 71.54 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.578 HG22 ' H ' ' A' ' 83' ' ' ARG . 85.4 mt -99.69 136.76 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -65.33 -36.08 82.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.578 ' H ' HG22 ' A' ' 81' ' ' ILE . 2.9 tpm_? -74.67 124.42 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -96.73 179.44 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 59.61 36.04 22.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . . . -127.82 162.64 26.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.3 p90 -131.42 -177.17 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HG2' HD23 ' A' ' 75' ' ' LEU . 20.1 pttt -144.89 152.18 39.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.96 122.02 37.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.6 142.41 27.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 16.8 t-80 -132.13 139.62 35.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.731 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -73.63 -50.08 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -89.61 5.25 46.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.496 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 22.5 mtp -144.12 -176.97 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -88.64 -177.35 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.2 m -92.57 125.22 37.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -91.37 172.46 8.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 88' ' ' LYS . 56.8 m-85 -146.65 138.97 24.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -141.11 148.57 40.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 1.8 p -145.42 159.52 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.602 HG21 ' O ' ' A' ' 106' ' ' GLU . 9.1 p -129.32 178.16 6.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -46.76 58.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.6 p -131.05 179.24 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.64 99.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.542 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' CD ' HD11 ' A' ' 109' ' ' LEU . 3.4 tmmm? -58.01 -61.11 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.602 ' O ' HG21 ' A' ' 101' ' ' THR . 23.6 mt-10 -46.89 -20.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.45 -41.13 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 4.5 pt-20 -61.65 -46.3 90.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 108' ' ' GLU . 15.3 mt -52.36 -38.35 58.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.755 ' CD1' HD13 ' A' ' 27' ' ' LEU . 14.1 m95 -78.13 -48.1 16.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 112' ' ' LYS . 16.3 mtp -58.88 -61.5 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 111' ' ' MET . 26.9 mmtm -38.07 -39.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.18 -61.92 1.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 41.0 mtt -42.9 -57.8 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -46.23 -34.09 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -78.46 -31.68 48.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.415 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -84.89 -15.07 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -93.64 -47.39 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' VAL . 0.8 OUTLIER -63.63 -27.58 69.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' LEU . 9.9 p -33.87 139.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 119' ' ' LEU . 88.2 mm-40 -102.36 56.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 122' ' ' THR . 9.7 t -103.7 33.17 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 55.5 p -42.23 110.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -140.66 147.96 19.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.59 86.23 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.28 . . . . 0.0 112.383 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.6 m -124.05 87.78 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.8 t -60.21 134.59 57.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -154.62 124.09 6.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.381 . . . . 0.0 110.787 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -93.88 171.13 9.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.61 -170.8 12.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.495 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -154.42 141.38 19.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.822 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -171.58 160.09 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.56 -150.89 5.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -147.45 120.01 8.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 ttm105 -70.98 118.98 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 m -133.5 165.99 23.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -78.55 -58.11 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 t -58.14 175.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.657 HD12 ' OG ' ' A' ' 64' ' ' SER . 24.2 mt -110.2 139.13 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 15' ' ' ARG . 3.3 tmtm? -114.44 136.49 52.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 51.1 ttt-85 -89.66 151.2 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -115.09 94.57 39.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.607 0.718 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -43.67 -49.81 7.61 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -49.1 -49.89 39.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -38.29 102.37 0.24 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.576 0.703 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -44.29 105.12 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.258 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.19 130.17 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.0 t -72.23 -50.03 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.431 ' HD2' HD13 ' A' ' 109' ' ' LEU . 16.3 ttp85 -174.94 136.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -124.26 129.33 50.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.39 153.46 24.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.447 ' CD2' ' HE3' ' A' ' 40' ' ' LYS . 96.7 m95 -61.69 100.85 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.62 HD13 ' CD1' ' A' ' 110' ' ' TRP . 24.2 tp -100.47 146.01 27.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -94.9 136.98 34.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -124.16 152.92 42.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 36.7 tt0 -105.49 154.39 20.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -86.66 167.12 14.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.1 m -118.12 43.09 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.5 147.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.159 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.68 -126.9 33.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.83 133.36 47.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 1.5 mptm? -98.76 67.51 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -93.45 178.15 5.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.419 ' C ' ' HE3' ' A' ' 39' ' ' LYS . 62.7 m95 -109.2 124.92 51.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -95.91 165.87 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HE3' ' CD2' ' A' ' 26' ' ' TRP . 35.9 tptt -116.96 125.85 52.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 54' ' ' ARG . 1.6 tpm_? -156.79 155.01 30.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.504 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 55.3 t-105 -80.11 123.45 27.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -115.8 164.01 15.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.1 t -152.19 136.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.35 99.27 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 t -142.64 151.14 41.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.08 38.6 24.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.8 mt 49.67 38.82 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 6.3 t -143.39 169.4 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -109.45 132.98 53.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 49' ' ' CYS . 78.8 m-85 -142.1 135.45 29.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE2' ' O ' ' A' ' 63' ' ' GLY . 19.9 p90 -133.64 161.45 34.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -143.93 158.95 43.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.517 ' HG3' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -35.76 -50.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -145.53 176.08 9.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 7.4 pt-20 -52.06 -24.89 7.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -49.29 -23.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.406 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 57.1 mt-10 60.9 40.97 14.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -92.3 101.61 14.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.64 133.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.648 HG22 ' H ' ' A' ' 63' ' ' GLY . 94.6 mt -84.81 131.29 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.517 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -85.44 -12.3 52.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.648 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 167.98 135.53 1.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.657 ' OG ' HD12 ' A' ' 13' ' ' ILE . 17.4 p -104.62 151.22 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.639 HG23 ' HE2' ' A' ' 70' ' ' PHE . 49.2 mt -130.7 127.73 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.46 110.9 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.672 HD13 ' HA ' ' A' ' 114' ' ' MET . 12.0 mt -69.0 -43.74 26.74 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.3 Cg_exo -47.99 -26.87 8.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.44 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 50.8 m -91.18 -21.21 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.639 ' HE2' HG23 ' A' ' 65' ' ' ILE . 8.8 m-85 -86.59 152.8 22.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -116.81 108.69 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.498 HG21 ' CD2' ' A' ' 115' ' ' LEU . 5.9 mm -80.08 120.05 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.83 133.95 16.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.55 137.89 18.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.3 mt -45.76 171.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.0 t -153.81 164.6 38.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 78' ' ' GLU . 5.7 t -41.24 -57.1 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -36.1 -43.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -59.85 127.19 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -83.77 35.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.692 HG22 ' H ' ' A' ' 83' ' ' ARG . 51.4 mt -115.23 111.96 37.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -88.86 24.46 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.692 ' H ' HG22 ' A' ' 81' ' ' ILE . 7.5 mmp_? -93.15 -178.31 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -136.68 -177.35 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.414 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 2.0 m-85 43.43 45.82 5.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.48 ' HB2' ' CB ' ' A' ' 100' ' ' CYS . . . -147.97 158.89 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -136.84 178.15 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -133.91 154.1 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.5 122.64 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.03 142.67 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 49.7 t-80 -137.98 140.0 27.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.5 Cg_endo -73.3 -50.28 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -90.4 15.65 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.53 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.8 mtm -152.31 -174.99 5.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.33 -177.52 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.3 m -88.94 126.96 35.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 3.0 m-85 -96.57 171.87 8.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.527 ' CD2' ' CD1' ' A' ' 81' ' ' ILE . 33.3 m-85 -146.39 133.25 20.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -138.11 141.31 40.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 86' ' ' ALA . 11.5 p -131.81 162.71 29.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.3 p -129.48 177.19 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.63 -39.28 62.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 0.1 OUTLIER -147.88 171.15 16.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 103' ' ' THR . . . -52.53 -34.44 42.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.466 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.577 ' CD ' ' N ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -60.12 -64.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 105' ' ' LYS . 6.3 mt-10 -46.93 -20.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.9 ttt -89.08 -39.81 13.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.86 -38.11 81.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.431 HD13 ' HD2' ' A' ' 23' ' ' ARG . 64.7 mt -67.37 -51.8 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.62 ' CD1' HD13 ' A' ' 27' ' ' LEU . 15.2 m95 -60.99 -48.0 83.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.8 mtt -57.66 -59.42 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -39.65 -41.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -79.98 -66.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.672 ' HA ' HD13 ' A' ' 67' ' ' LEU . 23.2 mtt -36.68 -58.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.498 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.4 mm? -52.38 -41.55 63.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.1 t70 -71.03 -24.8 62.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.412 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -98.81 -2.5 37.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.84 -43.77 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.856 HD13 ' N ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -54.86 -17.85 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.856 ' N ' HD13 ' A' ' 119' ' ' LEU . 4.4 p -72.56 131.08 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -97.22 89.61 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.3 t -158.35 165.39 34.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 m 45.68 52.39 9.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 168.99 -84.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.68 139.79 22.97 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.2 t -101.3 -65.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -151.11 166.18 31.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -80.36 97.96 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 m -63.67 117.53 6.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.83 -179.11 27.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -155.06 153.11 30.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -90.66 -44.07 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.61 169.24 26.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -38.47 148.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -139.4 143.84 37.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -153.46 142.51 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -45.04 -54.24 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.3 m -82.29 178.55 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.1 mt -108.98 134.22 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -116.09 130.69 56.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 8.8 ttp-105 -61.83 135.53 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -87.94 141.64 31.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.62 -45.57 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.301 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -61.06 -31.44 71.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.8 134.82 78.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.598 0.714 . . . . 0.0 111.06 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -79.98 115.65 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.12 123.15 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.33 -56.44 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -167.51 142.34 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' CB ' HG22 ' A' ' 44' ' ' VAL . 16.0 ptt180 -133.07 127.86 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.78 158.03 28.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.577 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 81.8 m95 -70.19 89.45 0.64 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.578 HD13 ' CD1' ' A' ' 110' ' ' TRP . 52.9 tp -88.44 157.66 18.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -101.27 134.3 44.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -128.52 152.34 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -76.35 174.0 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.74 -47.66 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 m 58.52 45.29 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.4 p -126.52 35.47 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.62 -46.48 1.08 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 37' ' ' LEU . 10.7 mtp -128.28 110.15 12.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -58.13 78.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 35' ' ' MET . 38.7 mt -115.2 170.09 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -110.62 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -114.58 151.16 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -93.1 138.83 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.7 tpp85 -158.71 152.42 23.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.577 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 21.9 t-105 -78.38 123.24 26.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.426 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 31.6 m-85 -119.34 166.13 13.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.402 HG22 ' CB ' ' A' ' 24' ' ' ARG . 70.7 t -156.16 132.32 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -104.54 97.95 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -135.01 149.68 50.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.2 t0 45.12 45.12 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.512 HD12 ' CA ' ' A' ' 117' ' ' ALA . 3.4 mm? 46.42 46.29 13.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 34.3 t -149.89 158.4 44.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.7 mt -97.74 137.87 35.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -144.93 124.56 13.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 21.2 p90 -127.55 160.6 31.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -139.89 178.71 7.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.946 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.608 ' HG3' HD21 ' A' ' 62' ' ' LEU . 91.7 mtt180 -54.66 -48.87 71.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 10.3 p30 -153.43 -175.54 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -49.48 -32.17 11.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' CB ' ' HG3' ' A' ' 59' ' ' GLU . 6.2 mmmm -47.46 -25.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 55.47 41.07 31.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' HG3' ' CB ' ' A' ' 57' ' ' LYS . 6.2 mt-10 -91.77 108.22 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.02 133.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 53' ' ' TYR . 61.0 mt -86.57 125.94 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.608 HD21 ' HG3' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -76.02 -34.46 59.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.54 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -169.44 140.31 6.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 p -104.86 148.01 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.68 HG23 ' HE2' ' A' ' 70' ' ' PHE . 40.9 mt -126.31 125.26 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.04 110.68 19.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 11.5 mt -67.64 -43.99 42.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.4 Cg_exo -47.98 -25.4 6.32 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.712 2.275 . . . . 0.0 112.379 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.442 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 61.6 m -92.44 -21.67 20.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.68 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.6 m-85 -85.33 153.77 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -116.51 107.91 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.44 HG21 ' SD ' ' A' ' 111' ' ' MET . 5.0 mm -80.14 111.09 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.52 134.34 25.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.81 135.79 47.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 mt -47.17 161.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.9 p -145.21 175.63 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -46.11 -47.31 17.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -43.09 -48.53 6.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -62.14 121.66 13.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -84.21 36.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.447 HG22 ' H ' ' A' ' 83' ' ' ARG . 56.6 mt -111.62 121.12 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -91.85 38.46 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.447 ' H ' HG22 ' A' ' 81' ' ' ILE . 5.2 mmp_? -97.4 159.46 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.598 ' HE2' ' CE1' ' A' ' 85' ' ' TYR . 21.3 ptmt -122.13 154.1 37.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.598 ' CE1' ' HE2' ' A' ' 84' ' ' LYS . 9.9 m-85 58.61 42.66 20.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.27 154.8 50.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.9 p90 -131.5 172.6 12.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -134.43 151.91 51.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -121.3 120.15 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.65 137.59 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 43.3 t-80 -129.07 139.84 36.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.565 0.698 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.8 Cg_endo -73.46 -48.71 0.24 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -92.88 17.54 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.512 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 28.3 mtm -154.7 -178.13 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 2.5 ptp180 -87.27 178.67 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 m -88.75 120.56 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -88.93 165.07 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -143.6 131.76 21.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -134.36 144.62 48.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 17.4 p -137.3 162.32 33.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 106' ' ' GLU . 19.4 p -130.85 -178.38 4.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -43.5 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 104' ' ' GLY . 4.7 t -142.94 -179.8 6.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' N ' ' OG1' ' A' ' 103' ' ' THR . . . -57.42 -40.79 92.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.903 ' HE2' HD11 ' A' ' 109' ' ' LEU . 2.8 tmtt? -56.76 -64.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.734 0.302 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.507 ' O ' HG21 ' A' ' 101' ' ' THR . 27.2 mt-10 -46.66 -20.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 ttt -88.32 -41.97 12.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -62.06 -35.16 77.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.903 HD11 ' HE2' ' A' ' 105' ' ' LYS . 39.4 mt -64.91 -41.53 95.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.578 ' CD1' HD13 ' A' ' 27' ' ' LEU . 14.5 m95 -75.58 -51.38 13.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.44 ' SD ' HG21 ' A' ' 72' ' ' ILE . 14.4 mmm -57.05 -59.35 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 111' ' ' MET . 27.4 mmtm -37.85 -41.29 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 116' ' ' ASP . . . -82.88 -65.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.583 ' HA ' HD13 ' A' ' 67' ' ' LEU . 29.6 mtt -34.33 -56.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.48 -41.55 60.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.79 ' HA ' HD23 ' A' ' 119' ' ' LEU . 7.5 t0 -58.7 -27.33 64.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -91.07 -45.18 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 120' ' ' VAL . . . -61.8 -52.35 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.2 pp -36.87 -32.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 117' ' ' ALA . 94.1 t -43.93 138.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -105.05 46.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.2 t -89.5 30.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.1 m -65.7 133.05 50.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -139.19 95.29 0.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -45.13 -35.04 10.24 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.3 m -75.36 87.31 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.2 t -90.09 95.75 10.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.443 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -52.17 -55.37 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.0 m -93.37 -46.09 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.79 -112.39 1.18 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -156.72 151.87 26.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -76.99 -44.95 29.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.91 171.69 12.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.87 165.6 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -98.73 146.89 25.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -87.56 -57.29 3.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -42.45 -52.82 4.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 p -135.15 163.66 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mt -107.73 134.51 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -126.47 131.74 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ttp-105 -58.76 158.64 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -122.32 97.43 45.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.701 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -42.57 -52.49 4.41 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.667 2.244 . . . . 0.0 112.295 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -48.63 -49.39 37.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.81 102.13 0.26 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 111.087 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.26 102.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.246 . . . . 0.0 112.345 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.7 125.27 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.49 -48.31 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -174.94 145.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 23' ' ' ARG . 14.5 ptt180 -135.34 128.46 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.11 156.01 27.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.553 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 82.6 m95 -65.97 92.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.756 HD13 ' NE1' ' A' ' 110' ' ' TRP . 27.0 tp -85.03 160.59 19.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -109.0 128.82 55.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -123.82 149.93 45.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -58.36 177.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -124.83 -39.08 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 m 59.92 49.77 7.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.0 p -133.14 73.72 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.01 -48.67 3.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' LEU . 89.9 mtp -133.9 127.59 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -59.16 80.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' MET . 14.7 mt -109.09 171.15 7.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -111.03 157.12 20.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -138.6 145.69 40.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -80.74 128.74 33.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -151.91 145.37 24.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.553 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 22.2 t-105 -75.28 135.1 40.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -135.96 150.08 49.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -139.22 126.64 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.5 100.52 12.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -144.55 154.43 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t70 47.03 42.13 12.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.77 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER 45.82 42.55 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.9 m -146.06 169.2 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 50' ' ' LEU . 8.6 mt -107.67 134.02 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -141.34 128.04 20.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 42' ' ' TRP . 21.0 p90 -131.18 156.39 45.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.547 ' CD1' ' HG2' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -131.65 175.48 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HA ' HD11 ' A' ' 62' ' ' LEU . 9.9 ptt180 -60.32 -34.32 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -161.36 -178.34 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.62 -34.35 58.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -48.17 -26.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.547 ' HG2' ' CD1' ' A' ' 53' ' ' TYR . 40.8 mt-10 52.08 45.98 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -101.46 81.82 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.41 114.92 3.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.436 HG12 ' CE2' ' A' ' 53' ' ' TYR . 96.3 mt -76.81 123.95 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -71.85 -30.85 65.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.33 144.52 6.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.442 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 p -104.72 153.44 21.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.686 HG23 ' HE2' ' A' ' 70' ' ' PHE . 47.3 mt -130.34 124.92 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.0 mm? -83.62 107.95 16.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 17.3 mt -68.44 -42.43 27.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 66.3 Cg_exo -48.08 -24.86 5.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 56.3 m -94.56 -21.33 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.686 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.8 m-85 -83.12 162.18 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -127.31 109.37 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.487 HD13 ' N ' ' A' ' 72' ' ' ILE . 2.1 mm -80.09 120.93 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.23 141.45 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.57 136.01 57.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' ' 88' ' ' LYS . 51.5 mt -52.61 168.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 31.3 p -151.05 175.24 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.5 t -50.41 -24.11 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -62.07 -46.61 88.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.754 ' OD2' HD12 ' A' ' 81' ' ' ILE . 28.7 t0 -62.34 139.54 58.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -91.99 29.87 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.754 HD12 ' OD2' ' A' ' 79' ' ' ASP . 4.2 mt -116.36 142.49 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -119.07 41.75 2.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -94.76 143.38 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.503 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -81.31 162.56 23.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.503 ' CD1' ' HB3' ' A' ' 84' ' ' LYS . 15.3 m-85 33.94 54.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.42 148.66 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.506 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 3.6 p90 -139.33 166.8 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.49 ' HG2' HD23 ' A' ' 75' ' ' LEU . 18.7 pttt -134.33 152.93 52.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.68 129.3 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.88 142.64 30.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 25.7 t-80 -136.9 140.27 31.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.3 Cg_endo -74.09 -48.86 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -90.91 11.23 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.489 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 44.8 mtm -148.29 -175.72 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -91.82 -177.79 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 m -91.55 122.63 34.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -88.81 173.16 8.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 59.9 m-85 -148.59 131.02 15.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.506 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 12.4 m-85 -136.13 133.91 37.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.79 162.78 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.4 HG21 ' C ' ' A' ' 106' ' ' GLU . 39.1 p -129.13 -175.41 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.92 -26.74 20.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.74 173.96 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.501 ' HA2' ' CD2' ' A' ' 85' ' ' TYR . . . -57.54 -53.2 46.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.75 ' HE2' HD11 ' A' ' 109' ' ' LEU . 6.4 tmtt? -49.54 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.731 0.3 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.4 ' C ' HG21 ' A' ' 101' ' ' THR . 11.1 mt-10 -42.36 -24.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 105' ' ' LYS . 3.1 ttt -90.07 -37.07 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.7 pt-20 -63.23 -35.1 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 105' ' ' LYS . 31.7 mt -66.18 -38.86 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.756 ' NE1' HD13 ' A' ' 27' ' ' LEU . 19.3 m95 -75.27 -51.0 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 112' ' ' LYS . 18.7 mtp -57.13 -64.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 111' ' ' MET . 27.6 mmtt -34.14 -40.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.83 -60.85 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 118' ' ' ALA . 36.9 mtt -44.64 -54.97 5.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 119' ' ' LEU . 4.4 mm? -51.22 -34.14 30.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.55 -31.39 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.453 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -87.94 -9.84 52.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 114' ' ' MET . . . -99.64 -46.74 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -64.05 -29.13 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 119' ' ' LEU . 3.7 p -35.27 135.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -91.71 96.33 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.6 t -165.59 140.24 4.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -149.09 111.75 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -82.48 -95.25 0.53 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.531 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.99 177.6 8.59 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 t -109.08 -48.77 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.7 p -102.52 134.86 45.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -165.42 177.65 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -130.66 123.93 30.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.74 75.35 0.39 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -152.23 131.57 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.836 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -83.63 112.33 19.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.06 94.82 0.58 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -103.52 -46.34 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -145.66 148.62 33.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 m -50.38 96.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.03 125.48 47.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.9 m -105.65 -177.53 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.538 HD12 ' OG ' ' A' ' 64' ' ' SER . 27.3 mt -123.98 156.39 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 13' ' ' ILE . 5.5 tmtm? -136.23 134.99 38.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 12.7 ttt85 -92.06 121.88 34.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -85.3 112.97 47.77 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.61 0.719 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -46.41 -56.91 2.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' ALA . 63.6 m-80 -44.56 -51.41 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 18' ' ' ASN . . . -36.65 101.76 0.22 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.565 0.698 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.5 132.36 15.98 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -81.11 115.78 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.67 -48.22 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -172.15 144.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' CB ' HG22 ' A' ' 44' ' ' VAL . 20.3 ptt180 -139.18 127.94 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.523 ' HA2' ' CZ3' ' A' ' 42' ' ' TRP . . . -161.29 161.13 32.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.519 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 96.1 m95 -71.29 96.16 1.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' CD1' ' A' ' 110' ' ' TRP . 36.9 tp -97.72 155.96 16.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 41.1 m-85 -103.44 132.5 49.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -118.89 169.59 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' OE1' ' CE3' ' A' ' 38' ' ' TRP . 4.1 tp60 -97.34 133.87 41.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.45 144.37 27.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -66.74 -59.3 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -72.68 132.57 43.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.45 -168.31 12.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.8 mtm -88.48 43.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.97 44.93 29.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.9 mt -80.9 169.25 17.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.449 ' CE3' ' OE1' ' A' ' 30' ' ' GLN . 58.2 m95 -100.4 139.69 35.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -119.19 142.2 48.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 66.8 tttt -87.93 137.61 32.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -161.02 144.16 12.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CZ3' ' HA2' ' A' ' 25' ' ' GLY . 23.0 t-105 -70.1 113.25 7.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 26.5 m-85 -109.95 148.08 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.418 HG22 ' CB ' ' A' ' 24' ' ' ARG . 98.1 t -138.43 136.98 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 49' ' ' CYS . 0.6 OUTLIER -106.06 98.02 7.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 p -134.07 154.79 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.6 t0 45.88 34.3 1.87 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.673 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.2 mm? 54.9 38.84 31.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.523 ' O ' HD22 ' A' ' 45' ' ' LEU . 49.5 m -139.71 176.95 8.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.9 mt -112.34 129.86 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -140.48 125.3 18.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 12.0 p90 -124.71 154.25 41.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -134.48 176.21 8.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.957 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.665 ' HG3' HD21 ' A' ' 62' ' ' LEU . 67.6 mtt-85 -58.98 -44.2 91.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -157.06 -176.9 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -52.87 -22.11 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -22.17 12.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 52.46 34.74 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -85.38 98.84 10.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.2 141.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.492 HG13 ' CE2' ' A' ' 53' ' ' TYR . 86.4 mt -91.76 129.55 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.665 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.1 mt -78.29 -24.27 46.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.514 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 178.78 138.52 3.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.538 ' OG ' HD12 ' A' ' 13' ' ' ILE . 11.2 p -105.8 150.1 25.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.813 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.604 HG23 ' HE2' ' A' ' 70' ' ' PHE . 38.5 mt -128.78 126.13 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.07 110.11 18.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 17.3 mt -69.49 -42.49 20.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.544 0.688 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 65.7 Cg_exo -48.01 -23.95 4.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.445 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 19.5 m -94.02 -24.89 17.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.604 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.7 m-85 -80.21 157.91 26.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 90' ' ' ALA . 7.1 tt0 -119.95 106.5 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.83 119.23 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.09 141.31 21.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -58.28 133.11 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.5 mt -44.76 155.78 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' SER . 8.9 t -138.97 171.55 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 78' ' ' GLU . 88.6 p -38.07 -56.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 77' ' ' SER . 8.2 mt-10 -35.64 -49.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -61.1 124.17 19.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -97.38 47.37 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.426 HG22 ' HB2' ' A' ' 83' ' ' ARG . 64.6 mt -112.51 128.99 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.44 41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.426 ' HB2' HG22 ' A' ' 81' ' ' ILE . 12.6 mmm180 -113.95 152.67 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 162.42 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 58.05 36.01 25.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.12 157.74 42.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.8 p90 -133.46 179.1 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.502 ' HD2' HG21 ' A' ' 96' ' ' THR . 11.9 pttm -139.0 154.99 48.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -123.14 127.99 49.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' ' 71' ' ' GLN . . . -99.66 132.89 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 30.1 t-80 -127.18 140.16 37.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.699 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.7 Cg_endo -74.63 -49.49 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -88.65 9.52 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.447 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 38.7 mtm -148.68 -178.14 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -87.78 -178.0 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.502 HG21 ' HD2' ' A' ' 88' ' ' LYS . 31.8 m -89.64 121.19 31.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -90.4 165.02 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -139.98 134.82 32.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -135.79 139.09 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 16.3 p -136.59 161.77 34.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 p -129.39 -179.95 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -88.23 -33.26 18.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -134.45 176.34 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.52 -44.64 89.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.731 ' HE2' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -56.36 -61.1 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.746 0.308 . . . . 0.0 110.861 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -43.67 -22.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.6 ttt -89.5 -33.83 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 105' ' ' LYS . 4.3 pt-20 -69.54 -42.28 74.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.731 HD11 ' HE2' ' A' ' 105' ' ' LYS . 49.9 mt -62.18 -35.0 77.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.556 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.3 m95 -77.49 -45.63 24.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 112' ' ' LYS . 6.7 mtp -61.55 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 111' ' ' MET . 23.8 mmtp -35.1 -43.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' MET . . . -77.28 -66.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.563 ' HA ' HD13 ' A' ' 67' ' ' LEU . 19.2 mtt -36.55 -56.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 115' ' ' LEU . 4.0 mm? -49.37 -56.54 9.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -48.18 -25.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -96.94 -21.22 17.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.47 -54.62 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.932 HD13 ' N ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -46.15 -21.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.932 ' N ' HD13 ' A' ' 119' ' ' LEU . 69.1 t -49.69 130.64 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -106.61 69.2 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 122' ' ' THR . 1.3 t -118.52 15.82 13.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.8 t -112.61 153.6 27.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -123.91 96.64 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -43.94 123.04 3.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.36 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m -96.9 126.85 42.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.5 m -142.94 135.23 27.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -150.89 138.16 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -140.88 124.08 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.15 48.92 0.23 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -84.38 163.27 19.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.362 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -129.21 124.33 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.64 91.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.444 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.04 154.67 20.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -70.94 95.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.822 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 t -80.79 -49.36 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -48.82 -47.66 42.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 m -82.49 168.69 17.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.5 mt -117.95 144.5 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -128.76 137.61 51.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB2' HD11 ' A' ' 61' ' ' ILE . 4.5 ttp180 -71.87 157.2 38.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -126.14 139.38 34.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.1 -48.36 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -51.84 -48.99 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.56 102.58 0.28 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.557 0.694 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.21 109.22 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.727 2.284 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.89 125.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -68.36 -58.15 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -166.89 133.33 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' CB ' HG22 ' A' ' 44' ' ' VAL . 6.0 ptt-85 -125.91 122.65 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.52 156.87 27.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.495 ' CD1' ' CZ3' ' A' ' 42' ' ' TRP . 93.4 m95 -64.68 101.59 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.685 HD13 ' CD1' ' A' ' 110' ' ' TRP . 19.5 tp -105.62 152.45 23.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.508 ' CE1' ' HD3' ' A' ' 40' ' ' LYS . 58.5 m-85 -96.13 135.18 38.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -131.72 145.76 51.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 6.8 tt0 -78.2 116.53 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.65 146.0 32.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 m -111.92 41.58 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.6 p -122.89 43.68 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.84 -58.93 1.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.454 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -89.5 124.71 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -99.03 80.83 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.7 mt -111.01 167.98 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.517 ' CZ2' ' HG3' ' A' ' 83' ' ' ARG . 79.5 m95 -97.06 93.28 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -96.46 149.97 21.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.508 ' HD3' ' CE1' ' A' ' 28' ' ' TYR . 5.8 tptm -85.0 121.75 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -136.92 155.14 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.495 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 43.0 t-105 -86.64 122.87 31.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.494 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 43.4 m-85 -119.82 163.96 16.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.562 HG22 ' CB ' ' A' ' 24' ' ' ARG . 78.4 t -153.1 125.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -96.92 98.15 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 t -134.2 156.66 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.4 t0 41.13 39.73 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.61 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.1 mm? 50.67 43.42 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.5 t -145.88 163.52 34.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.5 mt -101.33 134.23 44.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -142.34 130.83 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.2 p90 -130.1 158.18 40.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.579 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -138.38 179.34 6.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.654 ' HG3' HD21 ' A' ' 62' ' ' LEU . 94.5 mtt180 -57.18 -47.27 81.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -154.03 -178.21 6.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -49.13 -33.53 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -30.5 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 60.73 45.93 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -90.96 94.8 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.19 129.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 53' ' ' TYR . 81.4 mt -79.6 129.16 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.654 HD21 ' HG3' ' A' ' 54' ' ' ARG . 1.3 mt -80.57 -31.08 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.518 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -173.92 139.16 4.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 p -103.46 155.96 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.492 HG23 ' HE2' ' A' ' 70' ' ' PHE . 65.4 mt -135.63 134.86 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.49 111.2 22.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.3 mt -71.05 -42.09 11.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.5 Cg_exo -47.96 -24.49 5.3 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.378 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.9 m -95.0 -20.96 18.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 6.9 m-85 -84.56 149.3 25.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -110.98 108.95 18.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.9 mm -79.98 110.83 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.39 136.43 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -46.69 139.03 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 88' ' ' LYS . 93.0 mt -40.41 154.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 77' ' ' SER . 1.4 t -175.28 -175.96 0.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.416 ' N ' HG23 ' A' ' 76' ' ' THR . 6.1 t 68.08 50.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 79' ' ' ASP . 4.3 pt-20 46.27 28.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -33.4 128.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -82.38 39.28 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.642 ' CD1' ' CD2' ' A' ' 98' ' ' TYR . 34.8 mt -121.12 110.49 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -84.53 39.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.517 ' HG3' ' CZ2' ' A' ' 38' ' ' TRP . 17.4 mmm180 -91.92 -179.82 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.18 161.3 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 39.84 46.33 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 99' ' ' PHE . . . -126.83 162.83 24.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -138.09 -178.99 5.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.475 ' HB3' HD23 ' A' ' 75' ' ' LEU . 30.7 pttt -141.0 149.28 41.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 70' ' ' PHE . . . -120.15 118.42 30.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.69 138.5 31.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 25.2 t-80 -123.95 140.34 34.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.5 Cg_endo -74.18 -45.53 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -95.57 12.24 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.51 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 2.9 mpp? -149.05 -175.25 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -86.83 -175.44 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.5 m -94.1 119.93 33.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.95 156.14 18.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.642 ' CD2' ' CD1' ' A' ' 81' ' ' ILE . 21.6 m-85 -129.26 135.98 49.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.415 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 9.7 m-85 -137.27 151.97 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 14.1 p -145.88 161.13 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 106' ' ' GLU . 12.0 p -129.7 -176.63 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -88.37 -45.27 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.8 p -137.5 -177.9 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.57 -51.37 59.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.512 ' HE3' HD21 ' A' ' 109' ' ' LEU . 32.7 tptt -47.71 -55.0 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.699 0.285 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.524 ' O ' HG21 ' A' ' 101' ' ' THR . 17.3 mm-40 -55.5 -22.58 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.3 ttt -89.07 -37.51 15.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -70.21 -37.97 75.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.512 HD21 ' HE3' ' A' ' 105' ' ' LYS . 86.1 mt -68.11 -36.29 79.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.685 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.5 m95 -80.21 -39.74 28.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 112' ' ' LYS . 1.9 mtt -67.09 -65.16 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 111' ' ' MET . 39.0 mmtt -37.56 -44.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.26 -62.44 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.501 ' HA ' HD13 ' A' ' 67' ' ' LEU . 18.2 mtt -40.22 -54.3 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 115' ' ' LEU . 4.1 mm? -51.4 -58.96 4.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -46.41 -21.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -98.69 -26.63 14.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . -80.74 -50.16 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.934 HD13 ' N ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -53.3 -15.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.934 ' N ' HD13 ' A' ' 119' ' ' LEU . 78.9 t -52.94 129.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -100.0 79.18 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.483 HG22 HG12 ' A' ' 120' ' ' VAL . 15.2 t -141.08 124.59 16.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.4 p -87.26 -51.35 6.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 120.96 100.59 1.74 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.51 152.93 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 66.8 p 43.1 41.51 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 99.2 p -56.49 151.38 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -79.59 116.35 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -168.57 146.65 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.73 105.09 1.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -157.99 130.3 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.38 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -131.74 114.5 14.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.44 109.73 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.25 170.32 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.784 0.325 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -103.3 60.11 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.6 p -105.77 149.91 26.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -65.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 p -90.57 173.1 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.3 mt -118.34 140.24 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -120.1 127.12 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.549 ' NE ' HD11 ' A' ' 61' ' ' ILE . 38.3 mtm180 -48.61 164.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -116.91 93.61 42.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.97 -41.41 12.27 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -58.85 -36.18 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.65 125.26 90.31 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 111.081 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.44 123.9 6.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.23 125.85 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.94 -53.32 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 23' ' ' ARG . 15.1 ttm105 -169.8 139.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.62 ' HB3' HG22 ' A' ' 44' ' ' VAL . 17.1 ptt-85 -123.39 129.25 51.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.62 158.3 28.39 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -72.93 93.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.671 HD13 ' CD1' ' A' ' 110' ' ' TRP . 31.9 tp -86.84 162.0 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 16.6 m-85 -124.15 136.05 53.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -135.83 147.81 48.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.575 ' OE1' HD13 ' A' ' 81' ' ' ILE . 8.1 pt20 -113.75 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.07 175.71 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 m -115.71 7.34 14.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.7 p -106.35 146.77 30.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.61 -118.79 4.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -85.4 128.15 34.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -80.14 82.7 6.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.7 mt -112.33 167.23 10.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -108.7 164.51 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -145.38 138.93 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.524 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 52.4 tttt -79.23 134.27 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -152.69 137.54 17.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.415 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 33.4 t-105 -72.99 106.61 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.2 m-85 -99.61 168.57 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.62 HG22 ' HB3' ' A' ' 24' ' ' ARG . 22.3 t -157.59 119.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -89.31 98.53 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.5 t -143.41 154.94 44.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.95 29.32 7.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.542 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.9 mm? 55.89 36.55 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.3 m -140.55 -178.03 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 50' ' ' LEU . 9.7 mt -117.09 130.93 56.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -137.79 139.58 40.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 10.7 p90 -136.59 160.85 37.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -146.27 151.63 37.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' TYR . 21.4 mtt-85 -34.46 -49.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.56 176.15 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -50.36 -19.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -50.9 -24.15 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 61.5 48.95 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -81.8 -177.17 6.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' ILE . . . -39.31 102.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.549 HD11 ' NE ' ' A' ' 15' ' ' ARG . 79.7 mt -37.37 135.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -84.23 -26.15 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.478 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 173.64 145.08 4.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.0 p -107.4 149.37 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.611 HG23 ' HE2' ' A' ' 70' ' ' PHE . 44.5 mt -122.55 125.37 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.21 112.49 19.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 13.5 mt -71.88 -43.32 10.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.927 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.4 Cg_exo -47.93 -23.78 4.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.412 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 55.2 m -94.35 -27.56 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.611 ' HE2' HG23 ' A' ' 65' ' ' ILE . 9.9 m-85 -79.97 156.83 27.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -120.16 105.02 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.506 HG21 ' CD2' ' A' ' 115' ' ' LEU . 6.1 mm -80.14 119.44 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.52 149.91 33.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.49 140.23 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 76' ' ' THR . 13.4 mt -51.2 173.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 75' ' ' LEU . 10.4 p -160.67 165.38 30.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 76' ' ' THR . 17.0 t -34.31 -45.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.489 ' OE1' ' N ' ' A' ' 79' ' ' ASP . 1.2 pp20? -39.86 -50.25 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.489 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 1.1 p30 -86.03 102.81 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -82.11 39.52 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.575 HD13 ' OE1' ' A' ' 30' ' ' GLN . 84.0 mt -77.46 132.57 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -71.73 -38.9 70.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 4.8 mmm180 -52.56 151.07 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -117.81 -176.79 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.421 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 2.0 m-85 43.61 45.24 5.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' A' ' 99' ' ' PHE . . . -129.11 171.34 12.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.515 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -140.06 -175.88 4.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.423 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 31.5 pttt -144.46 142.24 30.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.99 124.88 52.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.91 143.43 28.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 13.7 t-80 -131.18 140.71 39.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.63 0.728 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.532 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.6 Cg_endo -73.77 -49.4 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -91.95 7.37 42.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.522 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 27.0 mtp -144.69 -175.8 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -90.35 -178.88 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.6 m -91.37 123.33 34.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.35 168.47 12.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -139.52 136.76 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.551 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 29.5 m-85 -141.63 155.7 45.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 15.3 p -148.0 162.68 38.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.582 HG21 ' O ' ' A' ' 106' ' ' GLU . 20.2 p -129.97 -178.03 4.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -80.18 -45.79 17.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.5 p -139.16 -176.76 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.89 -38.11 94.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -58.74 -61.46 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.582 ' O ' HG21 ' A' ' 101' ' ' THR . 15.2 mt-10 -50.09 -19.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.2 ttt -88.37 -45.54 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.63 -39.74 89.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.56 -45.53 90.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.671 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.8 m95 -68.88 -48.25 63.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 112' ' ' LYS . 17.7 mtp -61.7 -62.82 1.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 111' ' ' MET . 39.8 mmtt -34.44 -44.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.85 -60.19 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.532 ' HA ' HD13 ' A' ' 67' ' ' LEU . 16.9 mtt -41.89 -56.38 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.506 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.2 mm? -54.72 -41.49 70.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.99 -23.45 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.451 ' HB3' HD13 ' A' ' 67' ' ' LEU . . . -101.6 -1.89 31.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.93 -40.24 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.827 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -56.51 -15.3 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.807 ' N ' HD13 ' A' ' 119' ' ' LEU . 4.4 p -74.65 131.32 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -108.53 57.01 0.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 t -92.04 -0.29 57.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 85.0 p -100.22 159.84 14.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -160.55 96.12 0.14 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.86 100.72 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.733 2.288 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.9 p -62.86 -14.2 43.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 m -116.43 -56.83 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.446 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -105.17 41.96 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -134.6 151.32 50.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.16 152.2 7.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -170.83 135.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.9 p -173.28 143.7 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . 143.81 -72.91 0.35 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -34.75 -44.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 8' ' ' LYS . 29.9 mmt180 -35.47 144.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -111.29 150.5 29.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -102.63 43.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 p -163.31 163.51 25.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mt -121.71 132.39 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -113.79 135.23 54.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -91.52 121.88 33.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -83.78 113.58 48.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.07 -60.64 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' ALA . 35.2 m-80 -40.85 -50.23 3.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 16' ' ' ASN . . . -36.74 101.79 0.22 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.542 0.687 . . . . 0.0 111.092 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.72 127.29 7.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.4 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -83.33 132.51 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -71.37 -47.94 56.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -172.94 142.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' CB ' HG22 ' A' ' 44' ' ' VAL . 27.2 ptt180 -133.06 119.11 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.92 143.88 10.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -54.91 99.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.566 HD13 ' CD1' ' A' ' 110' ' ' TRP . 54.1 tp -96.11 160.35 14.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -111.58 140.69 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HG3' ' CE1' ' A' ' 99' ' ' PHE . 8.5 ttmt -133.29 149.11 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 31.6 tt0 -99.87 157.5 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.47 112.77 20.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.4 t -49.88 -43.76 49.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.2 p -65.51 159.33 24.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.25 -149.33 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.556 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.7 tpp -67.83 146.42 53.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 11.5 mptt -85.96 79.48 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.3 mt -108.82 165.52 11.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -113.36 130.67 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -109.56 146.69 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -93.99 121.04 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -140.0 157.01 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -80.41 104.86 11.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -104.75 141.98 35.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.46 HG22 ' CB ' ' A' ' 24' ' ' ARG . 65.9 t -132.78 124.38 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -96.25 102.93 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -148.58 152.63 37.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 53.85 45.98 26.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.461 HD13 HG21 ' A' ' 120' ' ' VAL . 80.1 mt 42.01 42.45 2.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 t -152.01 164.4 37.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -104.56 131.91 51.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -137.18 133.53 35.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.548 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 5.1 p90 -134.51 162.08 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -139.19 -175.01 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HG2' HD21 ' A' ' 62' ' ' LEU . 29.8 mmt180 -64.53 -45.13 88.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.63 -175.05 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -54.28 -31.36 53.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 58' ' ' GLU . 26.8 mttt -54.38 -19.65 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.502 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER 30.67 47.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -94.43 36.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.81 110.34 0.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 53' ' ' TYR . 54.2 mt -70.8 131.53 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.576 HD21 ' HG2' ' A' ' 54' ' ' ARG . 1.2 mt -88.68 -30.63 19.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.548 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . -174.36 131.07 1.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.4 p -97.38 154.66 17.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.821 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.566 HG23 ' HE2' ' A' ' 70' ' ' PHE . 60.4 mt -129.67 130.55 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.68 113.72 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.643 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 27.4 mt -74.59 -41.64 4.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.649 0.737 . . . . 0.0 110.975 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 64.9 Cg_exo -47.97 -24.09 4.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.438 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 8.0 m -94.84 -22.46 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 91' ' ' HIS . 8.9 m-85 -82.94 156.78 23.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -118.39 108.28 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.487 HG21 ' CD2' ' A' ' 115' ' ' LEU . 4.8 mm -80.12 110.03 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.85 136.18 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.47 140.78 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.68 ' C ' HG23 ' A' ' 76' ' ' THR . 13.5 mt -53.0 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.68 HG23 ' C ' ' A' ' 75' ' ' LEU . 1.0 OUTLIER 74.91 25.3 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.431 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 1.3 t -134.9 71.36 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 66.87 40.77 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 77' ' ' SER . 0.4 OUTLIER -97.53 -34.41 10.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 62.69 27.91 16.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.576 HD12 ' CE1' ' A' ' 98' ' ' TYR . 85.3 mt -111.39 144.3 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -104.27 45.41 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -121.99 156.15 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -122.66 171.27 9.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 54.54 32.98 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -133.95 175.03 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -140.32 -175.95 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -150.59 139.9 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.87 125.07 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.44 134.21 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 38.2 t-80 -128.64 139.73 36.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 59.2 Cg_endo -72.26 -48.47 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -95.62 23.8 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.523 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 32.6 mtm -157.21 -175.59 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -91.5 -178.34 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.2 m -91.96 117.89 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -87.76 156.77 19.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.576 ' CE1' HD12 ' A' ' 81' ' ' ILE . 74.7 m-85 -132.93 144.88 50.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CE1' ' HG3' ' A' ' 29' ' ' LYS . 13.7 m-85 -145.65 131.65 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.0 p -132.91 162.47 31.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.549 HG21 ' O ' ' A' ' 106' ' ' GLU . 35.6 p -132.51 175.54 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -75.56 -43.46 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 73.1 p -132.45 168.21 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.11 -37.12 62.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.728 ' HE3' HD21 ' A' ' 109' ' ' LEU . 42.5 tptt -58.29 -60.66 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.549 ' O ' HG21 ' A' ' 101' ' ' THR . 7.9 mt-10 -48.46 -22.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 9.5 ttt -85.74 -48.28 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -58.53 -32.84 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.728 HD21 ' HE3' ' A' ' 105' ' ' LYS . 81.7 mt -69.41 -39.7 77.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.566 ' CD1' HD13 ' A' ' 27' ' ' LEU . 17.5 m95 -74.74 -44.52 49.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' LYS . 4.2 mtp -60.98 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' MET . 32.7 mmtp -37.65 -43.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.59 -66.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.514 ' HA ' HD13 ' A' ' 67' ' ' LEU . 31.8 mtt -39.79 -56.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.487 ' CD2' HG21 ' A' ' 72' ' ' ILE . 4.0 mm? -49.3 -45.94 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.551 ' HA ' HD23 ' A' ' 119' ' ' LEU . 13.5 t0 -49.47 -42.1 42.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 120' ' ' VAL . . . -79.73 -50.53 10.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.72 -52.73 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.551 HD23 ' HA ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -46.57 -26.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 117' ' ' ALA . 46.8 t -58.02 133.11 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.34 52.21 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.4 t -100.05 36.79 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.2 p -73.46 160.04 32.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -57.33 -61.95 6.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 126' ' ' SER . 72.5 Cg_exo -46.78 -24.99 3.35 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 125' ' ' PRO . 59.5 p -34.51 140.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 m -151.86 116.04 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -114.43 41.75 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -122.96 119.55 30.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.01 -160.62 23.66 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -110.92 97.45 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -77.86 100.49 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.44 51.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -153.71 128.18 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.743 0.306 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -46.12 115.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 t -106.94 105.97 16.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -84.45 -51.81 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 m -121.56 168.02 12.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.8 mt -108.68 136.54 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -103.95 129.65 51.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.1 ttp85 -57.77 169.59 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 45.1 t30 -124.41 101.68 33.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -42.85 -57.05 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.3 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -48.86 -49.14 40.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 16' ' ' ASN . . . -43.48 103.23 0.31 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.698 . . . . 0.0 111.109 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.09 126.24 9.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.9 t -77.94 119.69 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.9 t -65.65 -59.26 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -164.49 148.4 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.535 ' HB2' HG22 ' A' ' 44' ' ' VAL . 10.8 ptp180 -135.36 134.12 39.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.5 156.12 27.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.564 ' CE3' ' HE2' ' A' ' 40' ' ' LYS . 88.7 m95 -68.78 90.48 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.832 0.349 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.672 HD13 ' CD1' ' A' ' 110' ' ' TRP . 17.9 tp -90.62 159.99 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.605 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 4.0 m-85 -111.0 125.75 54.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -98.1 136.35 38.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 4.2 tt0 -105.12 129.97 53.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.98 141.05 28.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 t -104.33 39.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.53 141.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.09 -49.67 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.467 ' SD ' HD12 ' A' ' 37' ' ' LEU . 16.9 ptt? -163.28 142.29 8.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -88.52 34.66 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD12 ' SD ' ' A' ' 35' ' ' MET . 86.6 mt -83.97 158.34 21.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 30' ' ' GLN . 39.0 m95 -104.0 124.33 48.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -95.82 143.36 27.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.605 ' HG2' ' CE1' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -95.09 132.12 40.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 17.1 tpp180 -161.09 155.75 23.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.546 ' CZ3' ' CD1' ' A' ' 26' ' ' TRP . 36.8 t-105 -76.19 128.11 34.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 16.2 m-85 -121.97 145.93 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 24' ' ' ARG . 43.1 t -136.24 134.14 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -100.91 99.25 9.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -141.71 155.57 45.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.3 OUTLIER 51.45 29.62 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.4 mm? 55.99 33.5 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 92.2 m -135.94 -179.27 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -114.06 128.27 56.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.506 ' CE1' ' CB ' ' A' ' 64' ' ' SER . 95.3 m-85 -136.98 139.6 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.476 ' CZ ' ' O ' ' A' ' 63' ' ' GLY . 2.5 p90 -134.98 159.13 42.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.678 ' CE2' HD13 ' A' ' 61' ' ' ILE . 13.9 m-85 -137.53 169.47 17.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -57.22 -36.69 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.52 178.11 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.4 -14.82 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -60.45 -22.0 62.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 53' ' ' TYR . 30.9 mt-10 50.31 51.39 16.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -111.79 121.42 45.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.04 114.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.678 HD13 ' CE2' ' A' ' 53' ' ' TYR . 2.7 mm -67.43 152.33 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 61' ' ' ILE . 5.2 mt -115.5 -17.24 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.476 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . . . 161.39 135.17 1.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.506 ' CB ' ' CE1' ' A' ' 51' ' ' PHE . 95.7 p -111.0 146.98 35.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 0.0 110.823 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.595 HG23 ' HE2' ' A' ' 70' ' ' PHE . 36.7 mt -119.48 123.44 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.13 110.07 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 18.8 mt -72.82 -41.77 7.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 67' ' ' LEU . 66.1 Cg_exo -48.03 -23.79 4.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.437 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . 66.3 m -94.52 -21.58 18.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.595 ' HE2' HG23 ' A' ' 65' ' ' ILE . 10.0 m-85 -85.0 159.61 20.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -123.52 106.74 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.0 mm -80.15 118.72 28.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.02 137.42 26.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 74' ' ' LEU . 4.0 mm? -46.47 141.24 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 88' ' ' LYS . 14.3 mt -55.01 168.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 78' ' ' GLU . 1.6 t -137.27 171.41 14.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -61.0 -48.03 83.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' N ' HG23 ' A' ' 76' ' ' THR . 4.5 tm-20 -48.26 -30.96 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.811 ' OD2' HD12 ' A' ' 81' ' ' ILE . 13.2 t0 -54.91 -39.85 69.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.4 m170 62.45 25.03 14.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.811 HD12 ' OD2' ' A' ' 79' ' ' ASP . 34.5 mt -98.59 112.04 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -79.76 45.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.602 ' HB2' HG22 ' A' ' 81' ' ' ILE . 15.5 mmt180 -114.94 138.11 51.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -98.33 162.65 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 48.85 41.92 19.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.43 153.99 44.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -133.13 -177.04 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 5.6 pttp -140.44 143.91 35.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.81 120.21 37.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.21 139.9 30.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . 24.8 t-80 -131.91 139.42 35.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.699 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.495 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 60.4 Cg_endo -74.08 -50.13 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -89.55 8.64 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.513 ' HB2' ' CG ' ' A' ' 91' ' ' HIS . 21.0 mtp -147.16 -176.7 5.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -89.16 177.87 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -88.11 119.89 28.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.85 169.23 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.502 ' CE2' ' OD1' ' A' ' 79' ' ' ASP . 67.2 m-85 -145.1 129.71 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -129.5 143.63 50.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.427 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 16.0 p -138.84 156.0 47.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.608 HG21 ' O ' ' A' ' 106' ' ' GLU . 9.8 p -124.56 178.37 5.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.94 -45.26 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.8 t -140.06 -175.07 4.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.39 -49.45 77.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.554 ' HE3' HD21 ' A' ' 109' ' ' LEU . 24.7 tptt -51.29 -56.16 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.735 0.302 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.608 ' O ' HG21 ' A' ' 101' ' ' THR . 9.2 mm-40 -51.57 -21.94 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.7 ttt -89.93 -45.19 9.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.29 -34.87 71.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.554 HD21 ' HE3' ' A' ' 105' ' ' LYS . 84.4 mt -68.27 -33.26 74.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.672 ' CD1' HD13 ' A' ' 27' ' ' LEU . 16.5 m95 -80.15 -53.85 6.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 112' ' ' LYS . 12.3 mtp -52.49 -64.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 111' ' ' MET . 42.1 mmtt -34.41 -40.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.29 -63.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.44 ' HA ' HD13 ' A' ' 67' ' ' LEU . 30.5 mtt -43.22 -57.89 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -46.78 -34.39 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.72 -33.15 58.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -86.9 -9.55 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -99.14 -43.48 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.441 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 0.8 OUTLIER -66.94 -24.45 66.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 119' ' ' LEU . 6.0 p -35.91 137.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 119' ' ' LEU . 86.9 mm-40 -103.07 46.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.5 t -91.25 141.39 28.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.8 t -44.88 118.57 1.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -150.49 -96.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.87 128.14 13.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.5 t -91.79 81.17 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.1 m -67.58 119.24 12.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.989 . . . . . . . . 0 0 . 1 stop_ save_