data_2n42_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 2n42 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.0 m -97.78 116.04 29.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -129.29 136.51 50.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -117.34 120.97 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -103.07 104.73 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -172.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.3 mt -115.62 131.62 56.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.475 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 86.5 t -96.53 135.14 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -175.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.52 122.31 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.94 164.88 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 170.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.41 -160.64 30.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 89' ' ' SER . . . -57.74 133.3 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 111.093 -177.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.84 98.22 2.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.14 -14.62 5.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.3 t -66.27 -67.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 111.123 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.95 67.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.527 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -66.42 -34.88 78.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.918 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 t -68.79 -42.16 77.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.79 89.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 92.7 mt -67.64 -32.57 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.938 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -69.9 -38.77 76.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.94 -43.53 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.2 pp0? -68.48 -22.33 64.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -174.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.07 -46.6 73.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.609 HG13 ' HG2' ' A' ' 25' ' ' GLN . 50.6 pt -86.28 -20.81 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.609 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.1 mm-40 -106.83 -20.8 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -177.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.2 m-20 64.89 35.09 8.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -174.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -156.9 139.82 15.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -89.67 126.85 35.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.23 165.74 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -96.69 -28.96 14.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.11 136.97 58.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -109.44 149.39 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -83.48 140.98 41.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.69 0.757 . . . . 0.0 110.825 -178.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -68.06 161.64 43.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 173.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 m -50.56 -36.02 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -74.41 125.09 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 57.01 52.42 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.539 ' OD2' ' HB3' ' A' ' 59' ' ' ALA . 24.5 p-10 -90.02 -47.43 7.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.3 m -77.24 147.39 36.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -133.62 155.06 50.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -119.4 143.76 47.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -142.52 129.8 21.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -79.42 122.18 26.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.92 160.04 23.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.62 116.74 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 172.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.7 mt -129.39 130.02 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t0 66.84 21.61 10.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.35 -4.94 82.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -109.59 129.9 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 110.954 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.8 m -70.44 129.27 38.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -151.8 173.95 14.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.0 tp -103.82 123.34 46.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.012 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.4 tp -101.83 116.3 32.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -101.95 115.83 31.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -103.06 114.98 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 56' ' ' LEU . 3.0 mm? -94.96 114.95 26.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -171.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -97.42 142.85 28.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.427 HG23 ' HB2' ' A' ' 68' ' ' ARG . 71.4 p -76.18 151.66 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.539 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . . . -140.07 143.0 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -173.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.89 -113.91 4.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -97.16 161.03 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.31 . . . . 0.0 110.908 -177.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -70.52 -43.32 69.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.18 -18.88 26.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -175.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -122.4 83.31 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -153.45 120.25 5.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.28 -31.04 71.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 38.3 mmt -65.06 -35.07 79.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -175.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HB2' HG23 ' A' ' 58' ' ' THR . 69.4 ttp85 -89.76 -48.94 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 173.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.09 -45.79 83.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -166.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -71.84 -49.0 42.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -75.74 -38.64 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.019 -169.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.4 tpp -64.75 -32.9 74.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.851 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -63.46 -32.66 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.7 m -70.47 -40.98 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.89 25.88 61.51 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 173.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.48 -36.52 81.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.6 156.21 8.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 173.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -155.63 150.01 25.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.2 tp -109.24 134.28 51.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.7 m -103.57 115.55 30.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.6 m -117.62 142.07 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -144.34 165.66 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.22 130.3 37.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.47 HG22 ' HB2' ' A' ' 117' ' ' LYS . 9.0 tp -73.7 -20.32 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -175.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -93.74 -14.26 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -93.92 117.27 29.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -65.85 -39.99 91.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.01 -20.19 60.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -171.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.485 ' HB2' ' HB3' ' A' ' 11' ' ' ALA . 91.6 p -61.67 -26.55 68.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -173.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -62.77 -38.28 89.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.32 -39.48 92.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -59.33 -46.87 87.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.9 mt -69.63 -37.63 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -56.09 -40.26 73.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -65.61 -45.55 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -59.29 -49.03 79.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -45.56 74.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -173.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.8 -38.85 80.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -68.97 -48.04 64.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.42 -37.53 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -52.47 -42.6 64.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.9 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.93 -35.85 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -97.15 14.75 24.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -170.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -46.69 -34.84 5.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.1 m -128.41 75.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 171.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -165.06 155.96 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -110.53 100.2 9.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.88 128.2 17.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 111.133 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.99 140.09 19.88 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.744 2.296 . . . . 0.0 112.317 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.9 mtt -133.17 143.1 48.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.2 t -138.87 135.63 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 173.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 134' ' ' ALA . 54.2 tp -100.48 121.72 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 176.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.7 t -119.75 127.87 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.148 -174.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.86 135.99 12.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.453 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -92.57 179.36 5.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 0.0 110.959 -168.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.47 ' HB2' HG22 ' A' ' 84' ' ' ILE . 74.3 mttt 50.34 40.23 22.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 170.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.0 m -74.66 -5.01 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -93.72 -8.6 40.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 172.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.9 tp -91.23 122.32 33.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.91 89.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.0 93.35 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -152.58 172.49 16.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.4 p -71.75 -175.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 54.8 t -45.59 145.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -43.69 149.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -170.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 94.6 p -64.87 -10.67 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -58.92 -33.87 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.449 ' HB3' HE21 ' A' ' 129' ' ' GLN . 2.6 tt0 -69.91 -35.13 74.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.3 80.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -64.12 -46.12 85.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.0 -39.39 92.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 79.2 mt -65.57 -41.41 92.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.009 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.437 ' HB3' HD21 ' A' ' 113' ' ' LEU . . . -63.68 -39.88 95.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 175.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.23 -36.25 82.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 81.1 p -65.24 -24.57 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -103.64 5.09 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.93 27.43 66.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 170.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.04 153.86 78.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 111.156 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.11 154.9 42.29 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.242 . . . . 0.0 112.317 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -117.72 129.99 56.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 44.5 mm -118.08 138.55 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -97.72 131.0 44.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.704 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 5.8 t -135.05 169.27 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.433 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 36.7 t -161.25 141.89 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.28 -24.2 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 169.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.447 ' HG2' HG21 ' A' ' 148' ' ' THR . 88.6 tttt -76.85 -68.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -171.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.447 HG21 ' HG2' ' A' ' 147' ' ' LYS . 40.4 p -138.03 -44.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.433 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 15.4 tpt180 -57.84 120.03 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -171.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -90.39 116.17 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.704 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -130.33 -55.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.544 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.453 HG21 HG22 ' A' ' 144' ' ' THR . 59.4 t -55.01 -49.58 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.798 0.333 . . . . 0.0 111.05 -172.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.23 -46.48 90.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.99 -34.64 78.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.6 -41.06 93.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -65.06 -38.59 91.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -63.97 -39.3 93.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 82.4 m -62.74 -42.11 99.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.01 -42.63 94.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.66 -43.95 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -65.04 -34.95 79.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.07 -37.91 89.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.1 -40.63 89.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -65.87 -31.71 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . 0.434 ' HB2' HE21 ' A' ' 165' ' ' GLN . 14.0 mt-30 -80.91 -43.72 19.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 24.8 m170 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -177.741 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.87 0.367 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -96.92 117.67 31.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -132.59 138.17 47.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -117.18 112.83 21.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 92.5 mttt -98.57 102.87 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -115.29 126.77 54.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.011 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.411 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 90.5 t -95.95 125.0 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.6 t -95.32 124.36 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.65 159.98 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.44 -168.49 41.61 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 89' ' ' SER . . . -77.5 145.0 37.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.047 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.72 142.15 36.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.07 10.63 74.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.4 t -97.47 -69.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.03 65.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.68 -49.29 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.706 0.288 . . . . 0.0 110.803 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m -78.31 -34.06 48.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.914 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.95 87.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -167.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.32 -34.27 75.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.5 p -76.01 -37.27 58.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.1 mt -70.68 -42.09 77.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -67.57 -23.64 65.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.6 tp -67.43 -47.25 70.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.594 HG13 ' HG2' ' A' ' 25' ' ' GLN . 46.7 pt -86.83 -19.96 7.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -173.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.594 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.8 mm-40 -107.12 -22.43 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -176.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.2 m-20 64.95 35.07 8.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -172.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -154.93 138.49 15.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -89.34 130.14 35.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.84 164.04 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -102.98 -19.62 14.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -69.87 121.08 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -172.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -84.68 138.89 32.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -64.9 136.82 96.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.692 0.758 . . . . 0.0 110.864 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.72 152.75 64.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.619 2.213 . . . . 0.0 112.315 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.8 m -53.69 -39.69 65.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 -178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.3 mt -74.93 123.22 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 55.02 46.63 23.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -72.34 -24.21 61.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 m -110.01 149.94 29.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -149.27 161.4 42.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.929 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -121.53 145.86 47.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.81 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -142.19 129.91 21.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -78.79 123.35 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.88 159.64 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 -174.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.0 t -108.76 120.6 60.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 171.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.0 mt -124.95 124.24 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 59.01 29.28 18.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.79 -3.24 87.29 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -106.3 130.0 54.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -81.23 130.02 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -150.05 170.81 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -105.56 119.71 39.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.997 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.9 tp -97.34 116.06 28.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.951 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.486 ' HB3' ' HA ' ' A' ' 5' ' ' LYS . 67.6 t0 -100.35 114.39 27.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.6 mm -96.43 114.71 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.411 ' HB2' ' HA ' ' A' ' 7' ' ' VAL . 71.5 mt -106.29 124.26 49.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -172.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -114.07 166.55 11.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.7 m -91.75 139.11 30.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.15 137.23 52.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.04 -106.51 2.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.455 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . 99.6 mm-40 -82.22 168.73 17.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -175.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.93 -43.24 72.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -172.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -129.95 13.55 5.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.455 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 78.1 m-85 -124.54 86.27 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -137.84 116.73 12.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.41 -34.87 77.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.089 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mtp -70.7 -45.0 65.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -175.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -85.83 -43.7 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.946 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.34 -30.69 71.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -174.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -59.35 -45.2 92.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -74.84 -33.9 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.5 tpp -62.13 -29.2 70.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -56.58 -32.56 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.7 m -75.04 -44.21 49.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.55 28.59 47.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -64.09 -30.92 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.414 . . . . 0.0 110.911 -176.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.91 153.9 6.68 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.414 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.7 150.23 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.1 tp -107.69 131.96 53.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.948 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.8 m -100.24 115.35 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -114.95 133.61 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.426 ' HB2' ' HB3' ' A' ' 89' ' ' SER . 37.2 p90 -134.52 160.03 39.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -92.44 135.46 34.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 174.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.5 tp -66.08 -24.85 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 -173.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -98.28 -20.03 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.471 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 10.7 t-20 -94.74 98.08 10.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.5 m -60.06 -33.79 72.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.49 -24.28 67.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.865 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 66.8 m -57.05 -35.19 69.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.851 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -64.49 -37.22 86.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.66 -41.21 92.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.98 -43.22 99.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.6 mt -67.52 -38.76 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -55.78 -43.15 76.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -65.0 -42.33 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -56.7 -45.74 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -61.26 -48.88 79.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.962 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.79 -37.17 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.3 -51.33 64.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.06 -36.18 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 105' ' ' ASP . 86.7 tttt -53.92 -37.28 63.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -54.99 -46.9 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.5 t -76.5 -37.91 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.53 16.9 25.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -169.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' LYS . 38.8 t70 -41.46 -40.15 1.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.2 m -118.98 77.96 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -166.4 157.64 13.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.809 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -101.62 103.63 14.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.0 t -119.12 116.22 34.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.597 0.713 . . . . 0.0 111.098 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -54.59 126.21 21.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 112.371 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.426 ' O ' ' HD2' ' A' ' 140' ' ' PRO . 91.1 mtp -136.64 142.49 43.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 87.1 t -139.82 136.96 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 170.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.4 tp -98.06 119.85 37.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 84.0 t -118.19 127.09 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -173.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.04 135.08 12.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.338 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -90.69 -179.38 5.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 -172.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 56.75 65.09 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.493 ' SG ' ' HB3' ' A' ' 143' ' ' GLU . 88.0 m -90.98 -14.97 30.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -94.79 -9.4 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -104.81 143.92 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.2 -43.13 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -55.93 120.97 8.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -164.95 161.85 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -175.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.1 t -84.98 -165.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 169.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.4 t -42.13 141.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -48.56 151.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -164.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.2 p -64.83 -19.1 65.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.42 -35.67 79.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -34.92 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 174.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.88 85.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -63.64 -45.66 89.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 173.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.87 -34.99 75.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.18 -40.98 95.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 174.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.54 79.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 173.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -64.88 -38.62 91.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 70.0 p -70.36 -22.72 62.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -89.42 -8.84 52.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.32 26.28 64.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.6 pt -132.87 153.68 81.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 0.0 111.206 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 111' ' ' MET . 27.9 Cg_exo -63.68 153.35 75.75 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.747 2.298 . . . . 0.0 112.328 176.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -118.02 126.81 53.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 41.5 mm -121.69 136.57 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.226 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.493 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 98.6 mt-10 -104.03 132.41 50.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 6.6 t -142.46 167.84 21.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 118' ' ' CYS . 47.0 t -137.78 137.84 38.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.82 -22.8 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.1 170.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -77.49 -69.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -171.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.9 p -139.78 -44.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 110.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -171.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -80.06 120.06 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 143' ' ' GLU . . . -130.62 -51.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.8 p -55.34 -28.09 21.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -170.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -53.6 -43.68 68.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.14 -34.9 78.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.65 98.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.032 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -65.02 -37.9 89.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -64.82 -37.51 87.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 90.3 m -63.78 -42.8 97.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.187 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.0 -46.34 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 20.3 m -72.39 -27.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.67 -41.3 96.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 173.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.3 -42.42 93.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.98 -39.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -64.87 -43.93 91.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -83.16 -34.9 25.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -171.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 176.687 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -100.03 124.07 44.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -108.41 133.82 52.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -110.33 134.65 52.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -99.35 102.08 13.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 tt -114.87 119.66 37.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.77 128.56 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.3 t -96.53 124.28 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.57 163.08 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.3 -165.12 28.66 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.52 122.11 12.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.119 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.24 159.49 35.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.526 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 1.46 88.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.7 t -95.01 -77.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.087 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.49 54.65 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -67.37 -36.38 81.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.319 . . . . 0.0 110.891 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.9 t -63.87 -42.78 97.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 174.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.25 97.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 89.4 mt -66.18 -37.28 85.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.5 m -67.38 -44.21 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.33 -39.9 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 3.8 pp0? -69.43 -20.98 63.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -172.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.4 tp -70.43 -50.79 34.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.622 HG13 ' HG2' ' A' ' 25' ' ' GLN . 46.0 pt -81.24 -19.92 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 -171.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.622 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.8 mm-40 -110.5 -18.96 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -177.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 95.7 m-20 64.98 28.86 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -155.97 139.43 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -83.06 122.27 28.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.9 124.67 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 -177.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.27 -34.13 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -55.07 130.72 42.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -92.33 143.67 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.953 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -76.0 139.95 69.79 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.703 0.763 . . . . 0.0 110.827 -176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.33 156.22 62.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.237 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.9 t -53.72 -38.73 64.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -75.09 125.07 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 57.48 46.34 18.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -79.13 -15.3 58.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -113.67 149.16 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -172.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -136.99 152.97 50.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -174.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -124.7 147.15 48.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HB2' HG22 ' A' ' 24' ' ' ILE . 51.2 tptt -148.08 138.29 22.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -176.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -78.36 124.91 28.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.68 160.03 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.09 116.52 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -130.96 126.51 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.2 t0 65.22 25.03 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -174.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.76 -3.43 85.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -111.62 135.8 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.918 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.6 m -79.16 129.93 34.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.9 p -148.92 173.8 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.6 tp -104.44 120.91 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.975 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.2 tp -106.26 115.87 30.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -100.07 111.86 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.0 119.47 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.291 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.9 mt -106.23 128.38 53.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -166.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -107.4 163.44 13.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.5 m -70.8 135.13 47.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.8 139.15 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.55 -101.81 2.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.418 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . 97.6 mm-40 -90.12 -177.75 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.83 -175.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.08 -43.01 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -128.27 -4.98 5.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 89.0 m-85 -109.47 104.61 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.6 t -140.61 120.21 13.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.71 86.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 65.4 ttp -69.95 -58.56 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -69.68 -44.6 70.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -167.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.67 -33.64 76.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.35 -43.84 98.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -65.98 -36.88 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.1 -35.03 79.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.62 -33.04 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.6 m -69.97 -40.96 75.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.27 25.46 63.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 172.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.0 -36.86 80.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.819 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.56 146.23 4.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -149.19 150.0 31.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -106.32 129.02 54.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.8 t -97.5 118.16 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -109.7 131.74 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.119 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.428 ' HB3' HG21 ' A' ' 93' ' ' ILE . 32.3 p90 -131.02 163.81 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 177.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.631 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -94.0 133.05 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.561 HG13 ' HB2' ' A' ' 123' ' ' ARG . 9.7 tp -74.7 -22.84 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.118 -171.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -100.41 -17.04 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.631 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 44.3 t-20 -88.94 116.29 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 -176.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.4 m -68.75 -44.34 73.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.081 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.42 -27.29 67.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.913 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.3 t -59.19 -38.99 81.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -63.89 -42.6 97.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.39 -37.42 85.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.86 -47.69 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 82' ' ' PHE . 50.3 pt -72.41 -25.97 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -175.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -61.66 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -71.55 -46.82 58.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -64.31 -48.63 74.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -172.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -67.44 -40.01 85.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -173.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -67.83 -43.16 80.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -63.63 -47.58 80.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.929 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.15 -43.05 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 105' ' ' ASP . 88.2 tttt -59.59 -44.31 93.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -64.99 -40.56 95.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -176.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.8 t -69.61 -40.11 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -102.46 10.02 39.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -173.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 101' ' ' LYS . 38.8 t70 -46.64 -47.92 20.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -176.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.1 m -85.03 61.99 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -169.44 160.04 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -95.76 86.35 4.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.65 108.09 49.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 -176.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -59.04 129.55 32.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 58.0 mtt -134.4 139.35 45.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.1 t -135.74 140.44 44.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.178 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 37.8 tp -109.31 127.77 54.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.503 HG12 ' HB ' ' A' ' 142' ' ' ILE . 28.1 m -130.05 143.46 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.72 151.6 18.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 172.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -91.79 178.93 5.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -171.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 54.97 44.83 27.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 170.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.5 m -89.86 11.32 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -103.61 -12.31 17.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 165.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.5 mt -103.18 150.59 23.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.26 36.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.09 115.68 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.078 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.561 ' HB2' HG13 ' A' ' 84' ' ' ILE . 30.8 ptt-85 -167.1 175.54 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 -177.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.8 t -82.04 -166.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 173.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 53.5 t -44.12 147.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.21 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -43.74 149.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -168.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.9 p -63.69 -12.77 37.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 -174.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -58.27 -33.11 69.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -69.02 -37.41 78.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.031 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.39 90.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -58.22 -49.44 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 170.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.32 -36.52 80.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.19 -33.75 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.42 ' HB2' HG13 ' A' ' 139' ' ' ILE . . . -68.46 -39.82 81.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 169.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -69.13 -28.57 66.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.6 p -65.42 -28.03 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -105.4 0.7 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.16 38.68 17.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.497 169.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.42 HG13 ' HB2' ' A' ' 134' ' ' ALA . 43.4 pt -125.35 156.52 70.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.48 150.77 52.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -118.37 126.39 52.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.503 ' HB ' HG12 ' A' ' 114' ' ' VAL . 40.8 mm -121.64 138.41 52.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.14 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -91.29 131.62 36.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 10.6 t -141.31 163.35 33.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -143.29 140.08 30.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.92 -14.98 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -80.05 -69.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 50.4 p -138.91 -44.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -55.53 120.1 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -167.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -90.03 102.78 15.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.32 -27.06 2.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.541 170.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.29 -45.15 96.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.95 -44.84 96.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.0 -36.68 85.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.32 95.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -60.16 -42.96 96.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -64.72 -39.06 93.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.6 m -63.97 -43.22 96.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.57 -42.45 99.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.51 -39.9 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.58 -37.52 86.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.805 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -65.99 -35.39 80.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.99 -40.0 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 170.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -64.94 -30.39 71.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -85.33 -48.88 8.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -174.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.6 m -98.56 119.35 37.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -122.59 137.56 54.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -114.62 127.56 55.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -100.54 100.4 11.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.918 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.405 HD11 HD13 ' A' ' 159' ' ' LEU . 64.8 tp -113.03 122.7 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -175.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.7 t -100.58 127.44 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -91.2 124.1 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.99 161.59 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.33 -167.58 38.31 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.45 144.99 43.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 111.076 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.98 140.71 30.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.58 22.32 53.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.456 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.566 HG23 ' HB3' ' A' ' 83' ' ' ALA . 92.0 t -96.4 -71.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.082 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.59 54.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -72.48 -42.43 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.827 -168.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -68.68 -40.29 80.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.903 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.81 97.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 95.8 mt -65.61 -34.49 78.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.3 m -67.66 -42.56 82.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.158 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.36 -41.91 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.9 pp0? -66.95 -28.23 68.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -174.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.8 tp -74.88 -46.43 36.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.655 HG13 ' HG2' ' A' ' 25' ' ' GLN . 40.6 pt -82.07 -21.53 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 -171.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.655 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.6 mm-40 -112.45 -11.47 13.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.5 m-20 65.03 24.09 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -175.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -164.99 142.25 6.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -176.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -80.49 128.27 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.0 t -111.05 128.73 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -58.35 -43.68 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.9 108.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -82.04 120.16 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.979 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.66 140.03 86.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.66 0.743 . . . . 0.0 110.846 -172.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.1 165.45 32.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.611 2.207 . . . . 0.0 112.33 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.0 p -65.0 -14.83 61.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -78.17 123.97 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 172.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 54.8 49.14 18.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -90.0 -49.25 6.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -66.5 146.77 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.78 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -147.76 142.16 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.95 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -116.38 130.21 56.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.827 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -143.22 139.31 30.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.969 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -82.19 125.89 31.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.06 159.92 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -174.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.0 t -102.6 115.02 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -133.8 129.76 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t0 68.28 23.89 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.79 -4.12 80.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.433 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -112.16 136.93 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.978 0.418 . . . . 0.0 110.925 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.0 m -78.59 129.01 34.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.3 p -148.09 170.32 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -177.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.8 tp -104.99 118.49 36.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.993 -178.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.9 tp -112.57 116.5 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.981 -173.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -101.6 114.28 28.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.59 117.89 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.3 mt -108.51 115.63 30.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -101.8 147.01 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.8 m -59.84 135.14 57.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -172.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.28 146.0 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.46 -113.23 3.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.536 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -108.71 156.47 19.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.14 -37.74 81.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -89.93 -24.21 21.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -126.66 78.49 1.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.5 t -115.2 122.95 47.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.82 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.07 -31.83 73.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.17 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.9 mmt -78.68 -42.86 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -93.57 -61.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -173.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -75.26 -41.64 56.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -164.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -59.99 -45.02 94.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -77.14 -34.19 56.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.1 tpp -59.38 -29.61 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.865 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -55.75 -33.91 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -77.95 -47.13 19.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.69 22.32 53.71 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.449 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.93 -37.38 66.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.835 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.08 149.84 5.84 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.402 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -150.33 151.35 32.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.8 tp -102.87 129.92 49.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.9 m -95.22 118.04 31.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.6 t -112.55 131.5 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.462 ' HB2' ' HB3' ' A' ' 89' ' ' SER . 33.0 p90 -133.46 159.04 41.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -89.25 132.67 34.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 175.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.614 HG13 ' HB2' ' A' ' 123' ' ' ARG . 10.6 tp -68.95 -25.28 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.183 -170.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -102.09 -16.81 16.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.703 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 11.2 t-20 -92.97 101.81 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 176.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.0 m -59.43 -34.81 72.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.141 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.59 -24.01 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 58.0 m -59.24 -38.34 79.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -64.14 -36.84 85.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.63 -40.31 95.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -64.08 -39.93 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.5 mm -64.97 -40.2 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -58.75 -44.44 90.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.836 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -62.8 -42.24 99.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -57.01 -44.51 82.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -61.11 -45.59 94.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.06 -38.07 89.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.74 -50.32 63.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.8 mm -63.49 -39.41 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.56 -40.88 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -56.56 -52.48 64.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -176.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.9 t -76.81 -39.55 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -103.6 13.98 32.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -168.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -40.03 -44.9 1.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.4 t -121.76 94.92 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 173.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -165.63 163.12 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.94 81.87 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.8 t -119.84 112.24 35.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.658 0.742 . . . . 0.0 111.152 -174.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -77.6 136.75 15.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.789 2.326 . . . . 0.0 112.283 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 46.7 mtt -137.66 143.79 41.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.4 t -137.73 135.24 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 168.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.481 ' HB2' HD13 ' A' ' 139' ' ' ILE . 49.2 tp -104.56 119.22 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.35 135.06 64.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.404 ' HA3' ' CZ ' ' A' ' 82' ' ' PHE . . . -113.88 153.34 17.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.403 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.45 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 48.2 p-10 -96.43 177.69 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -170.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.99 48.8 21.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 165.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.4 m -90.88 12.37 19.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -98.84 -10.23 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 161.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 64.3 tp -89.93 120.79 31.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.14 93.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 114.98 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.117 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.614 ' HB2' HG13 ' A' ' 84' ' ' ILE . 40.7 ptt180 -165.0 -179.96 6.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.1 t -78.52 -168.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.3 m -48.6 152.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -47.07 146.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -169.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.3 p -66.09 -20.15 66.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -173.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.66 -38.07 86.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 174.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.2 -43.18 67.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.99 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.87 84.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -58.63 -48.64 80.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 172.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.2 -35.01 74.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.99 -41.99 94.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.99 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.88 85.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 174.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -67.66 -36.02 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.5 p -67.48 -20.76 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 173.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -89.66 -7.33 54.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.26 24.2 69.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.481 HD13 ' HB2' ' A' ' 113' ' ' LEU . 40.4 pt -130.41 152.21 79.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 111.145 -176.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.78 152.93 47.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.28 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -116.9 122.34 44.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.1 mm -120.17 136.36 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.181 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -107.35 123.48 48.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 5.9 t -136.53 161.58 35.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.9 t -135.32 139.32 44.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.9 -22.19 66.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.125 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.428 ' HG2' HG21 ' A' ' 148' ' ' THR . 88.8 tttt -74.74 -68.94 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -172.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.428 HG21 ' HG2' ' A' ' 147' ' ' LYS . 40.4 p -138.17 -44.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -58.13 119.9 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -169.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -90.36 113.42 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.66 -54.44 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.12 -29.51 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.22 -43.49 82.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.788 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.15 -34.7 78.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.36 96.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -62.98 -41.57 99.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -66.44 -41.96 88.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.2 m -64.83 -41.46 95.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 6' ' ' LEU . 32.4 mt -61.19 -45.06 96.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.25 -40.95 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.5 -37.14 86.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -65.88 -41.13 91.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.97 -39.98 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -61.63 -34.55 75.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . 0.43 ' HB2' HE21 ' A' ' 165' ' ' GLN . 16.5 mt-30 -75.95 -44.37 40.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 177.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 178.551 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.6 m -92.05 124.95 36.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -98.14 130.18 44.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -136.34 133.32 36.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -101.0 121.47 41.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -120.06 126.48 50.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 65.4 t -100.57 126.81 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.207 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.7 t -93.15 122.07 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.61 160.57 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.236 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.94 -176.67 42.47 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.449 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' HB2' ' A' ' 89' ' ' SER . . . -63.75 130.39 44.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 111.037 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.91 141.8 30.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.492 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.15 -1.15 69.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -94.98 -79.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 111.12 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.09 54.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.392 170.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -67.41 -35.6 79.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.382 . . . . 0.0 110.97 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -75.64 -40.19 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 175.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.12 97.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.131 -174.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.36 -42.13 93.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.9 m -67.95 -47.12 69.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.18 -48.21 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -70.42 -35.93 73.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -174.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.2 tp -63.3 -53.13 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -66.64 -32.18 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.169 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -96.84 -5.13 39.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.4 t30 50.94 46.35 26.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -160.08 144.98 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -176.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -94.78 125.39 39.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -174.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.0 159.79 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -147.3 24.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -119.67 29.72 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -87.7 133.34 33.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.98 140.06 88.36 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.55 0.69 . . . . 0.0 110.883 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -75.96 151.43 35.3 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.5 m 64.19 35.34 10.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.811 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.0 mm -115.16 138.2 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -96.82 38.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -63.66 108.22 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -110.64 154.94 23.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -170.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -130.05 150.1 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -167.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -126.15 134.19 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.873 173.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -137.4 131.14 31.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -173.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -93.19 123.99 36.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -134.08 159.96 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 -175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.96 122.7 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.155 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.2 mt -121.42 118.96 57.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 55.62 33.84 22.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.74 3.08 90.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -109.98 127.78 55.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.997 0.427 . . . . 0.0 110.888 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.2 m -74.13 128.54 35.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.0 t -138.96 139.26 37.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.7 tp -106.62 117.12 33.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.9 mt -106.42 115.24 29.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -170.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -93.51 110.05 21.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.52 114.23 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.2 tp -94.05 122.57 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -175.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -93.35 118.28 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.8 p -90.86 151.54 21.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.11 154.83 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.11 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.13 -109.4 3.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.96 169.98 16.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 110.941 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.46 -44.72 50.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -177.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -130.63 -20.06 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -83.52 76.55 9.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -167.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.7 t -150.44 140.0 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 171.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.79 81.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.085 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 67.5 mtt -67.49 -43.42 80.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -64.37 -42.43 96.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.87 -43.31 93.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -65.3 -47.19 77.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -175.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -76.12 -47.12 25.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.0 mtt -65.45 -26.83 68.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -61.92 -31.15 71.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.8 p -88.61 -32.1 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.75 ' HA3' ' HB3' ' A' ' 106' ' ' SER . . . 70.91 26.28 74.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.461 169.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.75 -38.28 69.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.0 158.64 9.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.428 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.35 148.63 28.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 110.916 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.1 tp -106.66 130.62 54.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.0 m -101.22 122.35 43.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -171.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.6 t -110.76 125.01 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.79 158.57 16.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -172.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.46 151.63 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -176.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 pt -89.94 -22.27 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -100.04 -42.25 6.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -88.09 98.98 11.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.1 m -61.09 -34.14 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.91 -17.89 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.542 ' HB2' ' HB3' ' A' ' 11' ' ' ALA . 60.5 p -58.28 -29.15 65.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.787 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -64.58 -42.74 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.74 -42.55 86.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.34 -44.19 83.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -69.43 -39.96 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -60.49 -38.72 85.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.779 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.82 -44.37 96.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.949 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -57.79 -38.98 76.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -57.25 -47.19 82.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.04 -35.05 79.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.73 -49.67 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.28 -42.22 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -67.66 -51.99 43.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -89.66 -58.14 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -172.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.8 t -70.85 -41.31 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.089 -169.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -87.61 -8.86 55.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 64.87 33.92 9.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.814 172.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.75 ' HB3' ' HA3' ' A' ' 75' ' ' GLY . 73.8 m -97.23 153.47 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -69.6 160.69 31.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.795 -174.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -91.18 105.41 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.449 ' O ' ' HG3' ' A' ' 111' ' ' MET . 33.8 m -110.4 160.02 29.99 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.615 0.722 . . . . 0.0 111.029 -176.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.34 133.38 42.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.57 2.18 . . . . 0.0 112.394 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.454 ' O ' ' HB ' ' A' ' 139' ' ' ILE . 55.4 mtt -129.98 161.95 29.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.7 t -129.55 133.35 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.5 mt -102.28 121.8 42.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.7 t -118.93 129.09 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -170.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.61 146.12 16.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -100.0 168.66 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -171.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 49.52 45.41 24.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.8 m -93.16 11.76 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.789 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.457 ' HB3' ' HB2' ' A' ' 149' ' ' ARG . 58.9 p30 -114.43 4.02 15.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 169.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.1 mt -107.0 159.31 16.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 175.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.92 79.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.71 98.29 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.018 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -110.04 172.16 7.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.795 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.8 t -81.44 -170.29 2.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.178 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 33.9 m -51.66 153.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.207 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -43.6 130.04 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -176.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.9 m -58.71 -30.11 67.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -172.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.03 -39.15 92.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.927 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -70.84 -46.5 62.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.03 80.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -64.99 -45.52 85.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 175.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -63.24 -34.5 77.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.05 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.9 76.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -66.27 -30.56 71.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -176.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.7 p -64.86 -22.32 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -104.16 0.32 29.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.876 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.99 27.67 64.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.454 ' HB ' ' O ' ' A' ' 111' ' ' MET . 40.0 pt -126.07 159.94 59.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.593 0.711 . . . . 0.0 111.171 -174.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 90.5 Cg_endo -79.62 154.5 23.84 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 -176.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -113.27 129.99 56.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 172.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.3 mm -118.11 138.31 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.193 -174.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -99.99 130.24 46.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.447 HG22 HG13 ' A' ' 152' ' ' VAL . 6.3 t -134.71 177.64 7.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.9 t -149.68 131.55 15.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 168.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.13 -20.26 63.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 166.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -74.05 -69.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 42.1 p -142.24 -44.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' A' ' 119' ' ' ASP . 75.7 ttt180 -61.13 128.43 36.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.794 -171.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.98 118.47 29.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.982 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -127.72 -51.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.416 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 144' ' ' THR . 15.7 m -55.75 -27.34 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 111.142 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -55.88 -46.33 78.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.89 -43.7 71.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.37 -31.89 73.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 152' ' ' VAL . 89.2 t80 -61.97 -49.79 74.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -173.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -80.54 -36.94 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.4 m -64.52 -44.08 92.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.221 -178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.36 -44.91 96.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.18 -44.61 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -57.69 -48.44 79.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -68.72 -42.93 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -171.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.8 mt -70.27 -39.87 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -64.64 -40.7 95.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -79.98 -32.49 39.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.43 ' OXT' ' CG ' ' A' ' 166' ' ' HIS . 85.9 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 170.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 ttm . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.836 0.35 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.2 m -97.96 125.56 42.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -96.84 133.22 41.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -175.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -119.95 116.37 25.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -96.63 106.07 18.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.881 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.7 mt -107.13 123.76 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.0 125.07 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.9 t -95.73 127.49 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 -178.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.2 m -128.83 152.66 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.5 175.37 39.82 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.38 128.07 34.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.52 146.95 39.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.91 -33.33 6.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.4 t -75.68 -84.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.894 0.378 . . . . 0.0 111.057 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.24 55.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.415 171.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -64.83 -36.56 84.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -83.74 -50.25 8.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.68 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.068 -172.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' HG ' HG22 ' A' ' 152' ' ' VAL . 55.8 tp -63.78 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 p -82.95 -33.39 26.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.7 -39.22 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -62.64 -24.45 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.57 -41.37 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.434 HG21 ' HB3' ' A' ' 40' ' ' TYR . 47.7 mm -68.52 -30.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.23 -4.42 51.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -176.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 57.17 37.18 28.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -168.18 141.26 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -79.78 116.32 19.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -170.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.4 m -130.96 152.58 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -145.07 24.97 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -109.97 25.73 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -176.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -82.18 130.17 35.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.06 140.01 90.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.872 -176.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.88 151.04 39.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -176.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m 61.85 34.94 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 176.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mm -112.89 135.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.215 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -101.56 39.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -86.62 99.9 12.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.4 m -89.51 156.6 18.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.434 ' HB3' HG21 ' A' ' 24' ' ' ILE . 97.7 m-85 -129.47 150.16 50.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -171.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -130.09 140.26 50.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' HB2' HG23 ' A' ' 24' ' ' ILE . 80.5 tttt -135.78 130.57 34.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 176.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -75.09 125.91 29.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 174.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -133.66 161.79 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.037 -173.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.19 122.5 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.151 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.1 mt -124.51 120.41 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 58.7 29.55 18.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.16 -0.91 88.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -103.6 139.27 39.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.954 0.407 . . . . 0.0 110.878 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.4 m -69.75 122.13 18.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.3 m -132.46 158.64 41.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -109.65 123.24 49.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 172.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.31 97.82 10.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -99.4 109.36 21.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -101.62 116.81 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 mt -102.99 126.29 50.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -171.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -92.63 139.98 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.041 0.448 . . . . 0.0 110.845 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.2 p -109.16 147.42 32.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.05 145.43 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.04 -104.97 2.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.459 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -84.92 159.02 20.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.668 0.27 . . . . 0.0 110.941 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.71 -41.38 53.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -140.03 0.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.38 77.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -173.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.404 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 15.4 t -155.05 154.04 31.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 175.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.9 73.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.063 172.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.8 tpp -79.94 -40.17 28.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 23.9 tpt180 -80.2 -60.51 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -174.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.01 -42.07 94.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -169.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.92 -49.62 71.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -172.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -77.92 -33.07 51.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -173.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.7 mmm -64.38 -24.75 67.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.954 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -54.15 -36.59 63.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 174.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.8 m -80.91 -50.09 10.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 175.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 26.7 73.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 172.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -51.74 -41.46 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 172.65 159.98 20.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -145.16 150.0 35.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.1 tp -104.65 126.85 52.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.9 115.37 28.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.9 t -101.17 123.94 54.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -94.13 134.0 37.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.45 152.14 28.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mm -80.76 -35.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -173.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -99.85 -40.45 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -84.88 96.25 9.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.1 m -62.7 -33.81 75.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 173.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.51 -18.01 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -175.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.7 p -56.81 -33.63 66.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.819 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.91 -48.45 74.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.5 -38.58 90.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.929 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.32 -40.97 98.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.73 -43.06 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -60.08 -43.61 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -63.27 -44.57 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -62.94 -38.01 89.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -59.15 -52.79 64.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.31 -34.53 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.525 ' O ' HG21 ' A' ' 103' ' ' VAL . 28.9 tt0 -66.3 -52.85 43.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -176.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.15 -39.9 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.108 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -55.25 -46.09 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.96 -39.26 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.525 HG21 ' O ' ' A' ' 99' ' ' GLN . 54.4 t -64.54 -38.1 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -94.97 -5.0 45.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 54.97 46.65 23.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -174.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 t -99.93 156.87 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.735 -173.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -79.49 -179.7 6.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.829 169.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -76.59 118.9 19.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.51 160.21 28.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.724 . . . . 0.0 111.08 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -53.46 131.16 42.15 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.5 ttt -145.02 139.98 27.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.6 t -133.79 138.32 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.157 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.6 tp -102.72 123.52 46.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.48 134.57 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 144' ' ' THR . . . -114.11 147.79 18.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.431 HD22 ' HB3' ' A' ' 146' ' ' ALA . 16.8 t-20 -100.02 170.55 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -170.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.4 mttt 54.97 38.67 30.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.0 m -84.95 -11.39 55.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.854 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -104.33 3.55 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.48 157.46 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.16 94.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 175.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.03 97.54 5.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.054 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -110.04 154.96 22.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -173.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.7 t -84.94 -167.59 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 34.0 m -50.8 154.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.12 132.62 47.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -169.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.2 m -58.06 -34.97 70.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.3 -37.14 84.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -68.42 -46.15 70.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.12 79.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -65.21 -46.37 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.01 -36.89 85.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.92 -41.03 95.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.458 ' HB2' HG13 ' A' ' 139' ' ' ILE . . . -64.89 -41.32 95.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -67.19 -30.44 70.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.1 m -64.94 -30.99 72.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -94.36 -3.22 50.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.07 29.65 53.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.478 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.458 HG13 ' HB2' ' A' ' 134' ' ' ALA . 45.9 pt -125.05 156.68 69.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.34 150.49 32.62 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.408 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -115.77 127.09 54.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 173.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -125.83 139.94 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.123 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -97.44 133.38 42.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.573 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 6.0 t -135.17 172.36 13.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 177.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 47.1 t -142.6 129.99 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 171.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.431 ' HB3' HD22 ' A' ' 116' ' ' ASN . . . -59.21 -21.82 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 171.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.05 -64.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 92.8 m -144.77 -44.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -175.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.429 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 75.8 ttt180 -62.67 130.05 43.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -169.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -90.08 121.13 31.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.573 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -136.67 -52.54 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.429 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.441 HG21 HG22 ' A' ' 144' ' ' THR . 56.4 t -55.55 -39.28 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.767 0.318 . . . . 0.0 111.078 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.09 -43.62 82.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -67.17 -34.52 77.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.35 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -62.13 -44.72 96.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 173.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -64.5 -43.97 92.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 92.2 m -66.86 -40.53 87.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.204 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.44 -38.41 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.27 -42.66 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -62.74 -37.67 87.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.08 -36.77 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.4 mt -64.95 -40.34 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.74 -39.2 93.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 -173.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -83.22 -33.39 26.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.411 ' ND1' ' OXT' ' A' ' 166' ' ' HIS . 65.4 t-80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.847 173.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.848 0.356 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.9 m -98.63 124.74 43.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.092 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -92.09 137.0 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -173.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -127.15 140.08 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -97.21 112.56 24.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.5 tp -119.78 128.0 53.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -108.02 132.4 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.251 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -101.57 124.98 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.97 162.12 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.212 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.07 -178.21 40.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.436 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.66 135.52 52.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 111.086 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.12 161.23 50.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.405 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.28 -37.99 3.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.415 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -75.03 -84.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 0.0 111.086 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.67 64.95 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 170.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -66.47 -27.71 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 171.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -66.78 -40.08 88.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.156 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.12 -39.75 93.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.0 m -65.78 -46.97 76.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.77 -38.26 81.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.485 ' HG3' ' HA ' ' A' ' 28' ' ' PHE . 26.7 tt0 -67.13 -49.86 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -167.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.67 -46.32 79.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.899 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -64.99 -33.24 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.72 -2.38 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 55.56 42.62 29.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.463 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 85.3 t60 -158.87 140.63 13.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -176.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.485 ' HA ' ' HG3' ' A' ' 22' ' ' GLN . 79.6 m-85 -80.03 122.09 26.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -172.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -134.96 153.05 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -169.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -145.07 23.61 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -109.12 40.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -68.38 152.96 44.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -98.76 114.61 65.59 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.2 145.88 61.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.8 m 50.01 60.0 4.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 tp -122.9 149.8 26.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.212 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.56 9.9 24.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -75.01 85.06 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.2 m -97.95 160.62 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -130.23 145.65 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -167.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -129.19 137.13 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 171.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -145.42 135.89 24.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -174.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -83.13 127.21 33.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -134.92 160.06 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.8 t -112.68 122.14 66.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.177 172.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 88.3 mt -125.6 121.98 61.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 59.65 26.5 15.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -175.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.22 -4.23 84.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.573 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -100.61 129.15 46.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.872 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -80.23 122.09 26.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -173.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.8 m -127.75 154.78 44.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 tp -113.38 112.11 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 173.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.9 tp -96.95 110.78 23.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -169.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -97.66 109.26 22.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 176.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.5 mt -102.28 115.28 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 tp -104.54 118.32 36.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -92.52 120.69 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -79.56 139.93 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.08 139.94 41.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.0 -114.95 5.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . 98.8 mm-40 -86.73 143.37 27.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.696 0.284 . . . . 0.0 110.994 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -76.68 -36.44 57.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.874 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -97.01 -11.09 24.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.407 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 69.5 m-85 -114.85 80.51 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 175.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.8 t -156.79 136.06 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.41 75.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.051 167.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.4 mtm -66.85 -38.57 86.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -61.76 -51.05 69.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.67 -35.08 79.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -173.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -62.16 -51.06 69.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -169.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -77.02 -37.54 54.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.7 mmm -64.04 -23.26 67.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -57.09 -33.52 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.6 p -91.79 -27.32 18.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.06 22.4 76.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.46 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.84 -49.11 77.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.68 162.25 21.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.531 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -149.98 149.75 30.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.4 tp -100.96 131.54 46.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.8 t -106.66 116.48 32.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -174.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.94 130.02 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.437 ' HB2' HD11 ' A' ' 113' ' ' LEU . 56.1 t80 -112.52 144.14 42.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -170.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.42 157.51 37.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -172.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.7 mm -83.25 -40.43 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -100.17 -40.66 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -80.35 100.05 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -171.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.5 m -64.24 -34.25 77.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.078 172.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.36 -21.67 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -173.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.8 m -56.54 -32.95 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.73 -40.18 91.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.86 -39.13 93.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.78 -38.57 91.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 175.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.12 -40.45 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.03 -43.13 95.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.787 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.17 -42.09 97.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -60.21 -43.48 95.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -59.2 -51.0 71.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.59 -32.45 74.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.994 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -65.0 -47.54 77.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.86 -48.03 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.94 -58.97 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -86.31 -56.76 3.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -170.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.1 t -69.25 -41.37 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -168.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.8 -6.51 42.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 54.93 41.05 32.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -100.22 153.24 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.82 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.1 p30 -75.13 -179.9 4.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.774 173.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -65.33 112.88 3.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.5 t -92.32 130.76 36.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 111.093 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -49.86 126.99 17.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.743 2.296 . . . . 0.0 112.374 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.442 ' HE1' HD11 ' A' ' 139' ' ' ILE . 43.0 ttp -146.57 141.58 27.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 77.0 t -131.1 138.15 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.148 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 82' ' ' PHE . 51.9 tp -93.61 121.95 35.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 91.7 t -117.09 127.71 74.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.14 139.62 15.45 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.46 173.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.4 ' OD1' ' HA ' ' A' ' 145' ' ' SER . 13.9 t-20 -99.89 173.51 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 -174.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 60.4 35.02 20.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 171.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 98.1 m -87.2 4.9 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 -176.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -112.46 2.44 16.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.82 170.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.9 mt -104.71 164.3 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.008 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.44 91.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.41 95.43 4.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.041 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -110.08 159.9 16.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.806 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.2 t -80.12 -170.04 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.8 t -46.5 133.34 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -48.39 137.6 11.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -171.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.0 p -57.78 -30.83 65.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -168.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -65.02 -45.32 86.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 176.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.458 HE21 ' HB2' ' A' ' 129' ' ' GLN . 15.0 mt-30 -74.84 -41.18 60.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.95 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -58.0 -49.92 75.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.36 -34.85 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 133' ' ' LEU . 0.8 OUTLIER -64.96 -38.6 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 175.454 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.479 ' HB2' HG13 ' A' ' 139' ' ' ILE . . . -68.39 -34.94 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 173.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -65.21 -25.1 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.3 p -65.02 -22.84 67.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.429 ' HB2' HG12 ' A' ' 139' ' ' ILE . 26.2 m-85 -104.93 -0.56 26.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.24 28.82 67.41 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.479 HG13 ' HB2' ' A' ' 134' ' ' ALA . 45.1 pt -120.83 157.3 55.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.688 0.756 . . . . 0.0 111.129 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.35 154.14 31.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.356 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -112.23 128.84 56.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 44.5 mm -121.0 136.13 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.417 ' O ' ' HA3' ' A' ' 151' ' ' GLY . 56.1 mt-10 -102.77 126.98 50.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.2 t -136.9 176.38 8.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 149' ' ' ARG . 31.0 t -148.9 136.01 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 177.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.93 -12.87 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.054 168.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -94.92 -68.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 -168.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.6 p -138.66 -38.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -173.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 145' ' ' SER . 76.6 ttt180 -81.82 103.7 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 -170.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -75.01 121.37 21.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 143' ' ' GLU . . . -131.63 -48.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 174.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 5.7 p -56.62 -28.24 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 0.0 111.16 -168.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.28 -44.48 71.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -67.33 -35.3 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.976 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.34 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -65.59 -42.23 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -64.34 -44.57 91.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 87.5 m -67.65 -43.59 79.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.159 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.03 -44.12 90.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.994 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.86 -38.01 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 164' ' ' ARG . 59.3 ttt85 -55.06 -43.05 73.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 172.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.92 -38.07 82.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.62 -37.28 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . 0.404 ' HD3' ' HA ' ' A' ' 161' ' ' ARG . 41.3 mtp180 -61.95 -26.9 68.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -84.55 -47.01 11.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.793 178.147 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.5 m -111.14 134.86 52.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -90.84 128.73 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -117.62 117.5 29.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -97.87 109.89 22.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.817 -175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.6 tp -106.6 130.04 54.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -105.49 120.41 56.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 168.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.8 t -99.98 124.96 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.9 t -130.42 143.29 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.23 178.08 45.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.22 122.64 25.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 111.043 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.75 141.83 30.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.02 -75.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.2 t -80.44 -49.66 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.85 58.36 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -52.91 -48.62 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.714 0.292 . . . . 0.0 110.838 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -64.95 -39.91 94.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.815 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.68 97.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.5 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 61.0 tp -66.37 -40.14 89.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.985 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.449 HG22 ' HB2' ' A' ' 57' ' ' ASP . 97.0 m -66.89 -44.56 80.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -72.77 -37.55 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 -173.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.8 pp0? -65.0 -23.19 67.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.9 tp -70.8 -48.71 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.458 HG23 ' HG2' ' A' ' 25' ' ' GLN . 10.2 tp -78.07 -26.51 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -176.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 97.9 mm-40 -101.57 -23.94 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -176.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.9 m-20 70.19 14.82 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -140.97 146.66 37.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -92.06 120.55 32.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.39 160.78 33.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.08 -25.25 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.1 133.43 48.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -122.27 164.3 18.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -90.1 113.34 56.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.7 168.49 24.66 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.5 p -53.78 -27.24 27.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -76.24 124.36 34.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 170.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -48.93 109.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.799 -173.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -122.82 76.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.408 ' HB3' HD13 ' A' ' 56' ' ' LEU . 80.9 p -74.98 156.72 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.756 177.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -124.57 143.38 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.914 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -130.51 139.98 50.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -157.44 136.49 11.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -89.92 127.31 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.9 m -138.24 164.93 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.091 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.0 t -99.78 122.66 51.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 174.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.3 mt -122.61 122.27 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 58.61 30.41 19.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.89 -0.77 89.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.424 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -109.08 129.28 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.925 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -79.11 128.14 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.2 p -146.2 167.39 23.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.1 tp -116.93 120.99 40.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.4 mt -104.35 131.71 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -123.31 109.9 14.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 172.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.436 HD13 ' HB ' ' A' ' 24' ' ' ILE . 75.9 mt -113.24 126.63 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 -171.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 39' ' ' SER . 47.3 tp -116.26 122.37 44.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -178.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.449 ' HB2' HG22 ' A' ' 20' ' ' THR . 37.0 t70 -85.21 133.77 34.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.8 173.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.2 p -86.75 158.43 19.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.39 131.33 15.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.069 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.61 62.39 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.2 pm0 -64.16 -18.89 64.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 110.876 -173.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.98 -36.4 77.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.3 mt-10 -118.47 42.52 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 -173.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.547 ' C ' ' O ' ' A' ' 63' ' ' GLU . 66.9 m-85 -27.1 125.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.963 -175.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.1 t -79.96 148.99 30.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.793 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.79 -27.71 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.074 172.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.8 mtm -66.52 -36.95 83.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.884 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -76.98 -38.01 54.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 72' ' ' MET . 99.1 m-20 -59.79 -29.18 68.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -55.26 -52.19 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -74.0 -35.83 64.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.431 ' HB2' ' HA ' ' A' ' 69' ' ' ASP . 74.2 mtp -63.49 -38.32 90.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -176.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -69.76 -32.52 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.981 0.42 . . . . 0.0 110.923 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.5 m -72.96 -47.98 40.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.597 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 75.1 27.28 64.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.413 166.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -50.78 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.78 151.86 20.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.464 168.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -144.05 126.79 16.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 0.0 110.812 -175.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.3 tp -111.38 125.09 53.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.882 -176.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.5 m -106.23 116.85 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.1 t -114.32 125.16 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.415 ' HB2' ' OG ' ' A' ' 89' ' ' SER . 44.6 p90 -147.51 162.19 39.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -84.55 140.0 31.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.7 tp -80.4 -20.13 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.489 ' ND2' ' HB1' ' A' ' 121' ' ' ALA . 55.6 p30 -104.37 -15.82 15.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -173.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.538 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 38.4 t-20 -88.32 113.33 23.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 172.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.5 m -64.27 -44.27 92.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.7 -28.93 68.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' A' ' 82' ' ' PHE . 9.6 t -58.24 -33.19 69.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -61.03 -42.63 98.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.26 -33.02 71.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.64 -30.46 67.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -176.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.8 mm -62.31 -44.22 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -63.52 -42.75 98.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.791 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -65.09 -47.36 77.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -64.43 -42.4 96.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.28 -50.32 74.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.032 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -71.66 -40.83 69.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -67.86 -47.64 68.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.6 mt -56.85 -46.94 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.76 -44.01 81.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -70.39 -43.4 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.07 -41.99 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 -173.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -87.33 -2.21 58.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 55.0 43.04 30.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 172.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.1 m -135.99 174.11 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -176.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -75.04 175.97 7.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -177.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -84.49 121.01 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.597 HG11 ' HA3' ' A' ' 75' ' ' GLY . 31.4 m -95.92 155.68 38.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 111.139 -174.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 36.5 Cg_endo -64.83 135.94 46.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.611 2.208 . . . . 0.0 112.311 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 24.2 ptp -147.05 159.98 42.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.401 ' HA ' HG12 ' A' ' 139' ' ' ILE . 96.7 t -121.97 133.92 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.156 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.2 mp -96.93 127.28 42.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.2 t -124.6 126.92 72.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -86.51 136.45 14.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -110.05 166.73 10.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 58.84 57.04 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 173.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.0 m -86.58 -27.08 24.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -103.02 -9.86 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 79.1 mt -101.69 130.47 48.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.489 ' HB1' ' ND2' ' A' ' 85' ' ' ASN . . . 49.53 85.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.048 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.54 142.61 48.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -120.06 178.24 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.872 -172.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.5 p -125.03 73.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 168.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 83.9 t -120.26 134.25 64.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -69.17 122.34 18.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.8 p -64.87 -26.54 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.85 -39.27 91.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -68.32 -45.15 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.91 96.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.426 HE21 ' HB2' ' A' ' 131' ' ' GLN . 11.2 mt-30 -69.51 -45.49 68.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.454 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 89.4 m-20 -59.93 -30.16 68.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.818 -178.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 68.6 tp -58.24 -47.07 84.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.514 ' HB1' ' HB2' ' A' ' 141' ' ' TYR . . . -73.61 -33.44 64.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 176.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.454 ' HB2' ' HA ' ' A' ' 132' ' ' ASP . 99.2 mtt180 -65.5 -32.04 73.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -177.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.2 p -65.12 -23.91 67.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -102.83 4.69 38.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.957 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.7 38.89 41.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 112' ' ' VAL . 6.0 tp -143.19 132.24 11.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.089 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.72 147.32 24.73 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.707 2.272 . . . . 0.0 112.393 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.514 ' HB2' ' HB1' ' A' ' 134' ' ' ALA . 57.4 t80 -107.36 133.58 51.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -172.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 96.4 mt -116.98 132.31 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -110.0 128.77 55.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.974 173.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.4 HG22 ' HA3' ' A' ' 151' ' ' GLY . 12.8 t -150.39 -179.87 7.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.445 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 58.2 m -129.87 121.41 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 171.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.71 -25.96 66.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 -172.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.19 -50.01 65.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -171.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.4 p -124.78 -16.78 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -169.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.445 ' HB2' ' H ' ' A' ' 145' ' ' SER . 93.5 mtt-85 -113.32 147.94 36.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -169.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -99.91 110.32 22.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 168.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.4 ' HA3' HG22 ' A' ' 144' ' ' THR . . . -119.2 -27.67 2.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.42 174.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.53 -26.84 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.163 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.78 -47.2 86.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.887 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.89 -35.17 79.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.55 94.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.46 -37.85 83.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -61.52 -36.89 81.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.2 m -63.45 -42.68 98.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 74.1 mt -61.74 -41.8 98.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.83 -43.88 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.069 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.49 -40.14 96.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -65.04 -41.28 95.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.54 -41.4 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.5 -34.37 78.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -70.68 -44.52 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 62.1 m170 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.1 m -79.47 130.1 35.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.071 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -97.88 130.59 44.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -119.59 127.76 53.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.6 100.02 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.801 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.677 ' CD2' ' HA3' ' A' ' 77' ' ' GLY . 44.3 mt -109.39 125.81 52.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -169.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.7 t -103.88 124.01 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.17 128.67 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m -123.0 161.67 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.06 152.37 5.63 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.31 142.48 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.129 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.51 132.38 27.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.541 175.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.03 -54.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.587 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.6 t -108.13 -57.01 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.88 55.05 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 2.1 tmmm? -50.27 -66.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 43.6 t -69.98 -39.94 75.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.7 94.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -170.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 87.2 mt -65.84 -33.17 75.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.0 m -70.87 -41.88 70.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.0 mt -67.83 -40.91 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -174.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.8 pp0? -62.78 -24.01 67.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -172.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.6 tp -66.18 -44.32 84.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 97.2 mt -80.85 -36.76 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.099 -175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 99.5 mm-40 -96.67 -12.46 23.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -175.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.7 m-20 69.2 15.08 8.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -140.38 139.31 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -102.09 119.74 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 m -124.93 165.13 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -78.49 -11.95 59.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.71 152.41 37.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.407 ' HB2' ' HB3' ' A' ' 17' ' ' SER . 47.7 p90 -137.64 162.5 33.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.979 -177.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -64.78 115.13 17.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.552 0.691 . . . . 0.0 110.902 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.27 166.47 28.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.741 2.294 . . . . 0.0 112.314 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.5 p -55.28 -27.53 47.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 172.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.66 131.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 173.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -47.36 111.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.833 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -142.64 62.77 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 172.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -77.22 158.13 30.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -126.49 144.71 50.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HG2' ' HA ' ' A' ' 54' ' ' ASP . 99.2 mtt180 -122.72 141.06 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.888 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -141.49 129.51 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -95.08 123.64 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -137.47 159.96 35.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -173.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -107.73 121.08 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 170.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.2 mt -123.34 121.08 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 56.09 32.4 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.65 -2.07 88.34 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -102.09 118.85 37.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.9 m -77.18 129.18 35.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.157 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -148.64 160.0 43.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.1 tp -111.96 121.73 45.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.2 mt -94.94 110.17 22.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 59.5 t0 -94.87 108.3 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 174.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.9 mm -105.92 119.2 54.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.081 -168.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.43 HD22 ' HG2' ' A' ' 68' ' ' ARG . 69.7 tp -116.92 117.01 28.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.963 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -89.75 139.63 30.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.486 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 67.6 p -85.78 147.35 26.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -155.82 129.67 8.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.049 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.53 49.88 57.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.422 -169.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -59.79 -22.42 62.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.682 0.277 . . . . 0.0 110.812 -167.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.0 -30.27 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.593 ' O ' ' C ' ' A' ' 64' ' ' TYR . 67.7 mm-40 -99.96 33.94 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.593 ' C ' ' O ' ' A' ' 63' ' ' GLU . 66.2 m-85 -20.9 108.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.6 p -79.63 154.85 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.98 -32.83 74.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.065 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -63.82 -44.9 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.881 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.486 ' HE ' ' HA ' ' A' ' 58' ' ' THR . 71.2 mtt85 -75.46 -29.75 59.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.897 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.74 -31.3 72.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.93 -51.53 69.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -72.56 -35.61 68.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.412 ' SD ' HG23 ' A' ' 100' ' ' ILE . 59.9 ttm -64.87 -43.15 93.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HA ' ' HB2' ' A' ' 104' ' ' LYS . 94.0 mtt-85 -69.75 -30.45 68.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -174.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.9 m -78.68 -49.93 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.88 27.73 64.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.487 165.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -46.79 -48.57 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -177.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.677 ' HA3' ' CD2' ' A' ' 6' ' ' LEU . . . -141.91 153.9 24.54 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 172.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -144.99 116.14 7.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -171.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.3 tp -117.71 125.07 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.479 ' HB3' HD21 ' A' ' 113' ' ' LEU . 42.4 t -107.25 121.36 44.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.1 t -105.29 128.01 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -147.98 178.28 8.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.96 138.22 40.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.6 mt -79.68 -29.94 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -83.67 -19.67 34.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -91.51 115.0 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.0 m -65.91 -43.52 87.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.29 -27.43 67.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.1 t -59.07 -35.92 74.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -66.29 -37.65 85.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -71.45 -32.62 68.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.54 -43.41 98.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.0 pt -73.59 -24.91 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -61.78 -43.25 99.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 169.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.421 ' HB2' HE21 ' A' ' 95' ' ' GLN . 14.4 mt-30 -68.89 -40.11 79.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 177.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -54.16 -45.09 71.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -57.26 -51.98 67.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.916 -173.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -70.71 -45.16 65.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.454 ' O ' HG21 ' A' ' 103' ' ' VAL . 31.2 tt0 -65.71 -49.04 69.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -174.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.412 HG23 ' SD ' ' A' ' 72' ' ' MET . 90.7 mt -60.2 -42.55 90.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 176.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.407 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 87.9 tttt -58.95 -43.21 91.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.971 178.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -65.7 -37.49 86.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.454 HG21 ' O ' ' A' ' 99' ' ' GLN . 64.2 t -67.48 -43.3 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 73' ' ' ARG . 62.8 pttt -80.74 -10.28 59.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 55.99 37.39 28.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 174.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.5 m -135.81 171.26 14.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -174.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -77.16 -179.93 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -81.98 109.63 16.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.801 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 111' ' ' MET . 31.6 m -85.84 160.95 51.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 111.089 177.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -52.06 128.51 27.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 109' ' ' VAL . 65.0 mtt -125.2 159.18 32.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.3 t -131.55 136.65 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 163.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.479 HD21 ' HB3' ' A' ' 80' ' ' CYS . 82.0 mt -98.17 123.84 42.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 175.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 114' ' ' VAL . 10.7 p -125.22 126.12 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 177.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.1 142.14 17.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -97.59 170.05 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.917 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 68.04 40.77 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 53.8 t -67.38 -45.65 75.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 171.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -104.09 -14.03 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.6 mt -95.31 163.18 13.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 54.96 84.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 177.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.55 113.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 124' ' ' THR . 20.4 tpt85 -139.74 172.37 12.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.419 ' H ' ' HG3' ' A' ' 123' ' ' ARG . 61.7 p -120.54 73.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 174.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 96.5 t -118.49 118.49 58.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 173.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -70.68 126.92 30.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.1 m -63.94 -33.52 75.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.88 -39.68 93.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -67.07 -47.41 71.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.91 82.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -66.28 -45.47 80.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.13 -34.24 76.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.52 -39.3 93.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.011 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 139' ' ' ILE . . . -67.18 -38.39 85.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -66.14 -29.88 70.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -174.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.1 p -64.61 -23.94 67.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -105.0 -1.14 26.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.35 28.83 67.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.631 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 90.0 mt -112.61 131.15 22.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.624 0.726 . . . . 0.0 111.115 -173.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.07 144.52 68.71 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.739 2.293 . . . . 0.0 112.266 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -115.96 120.57 39.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.1 mm -118.01 132.27 68.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -109.85 134.5 51.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.466 ' CB ' ' HA3' ' A' ' 151' ' ' GLY . 14.6 t -143.04 177.58 8.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.483 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 36.5 t -143.16 123.21 13.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.45 -20.93 49.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.424 ' HG2' HG21 ' A' ' 148' ' ' THR . 86.0 tttt -55.76 -63.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.424 HG21 ' HG2' ' A' ' 147' ' ' LYS . 62.2 p -133.19 -21.65 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.483 ' HB2' ' H ' ' A' ' 145' ' ' SER . 93.7 mtt-85 -79.0 134.62 36.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -167.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -89.64 111.02 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 165.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -110.47 -29.9 3.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.41 -41.0 91.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 111.16 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.31 -48.43 81.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.93 -35.32 80.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.18 94.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.409 ' HD1' ' HA ' ' A' ' 156' ' ' PHE . 8.5 m-30 -63.54 -41.7 98.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 175.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -64.41 -40.96 96.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.5 m -66.93 -39.17 87.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 173.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.47 -46.86 81.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -173.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.26 -28.31 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.38 -41.16 94.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 172.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -68.69 -35.91 77.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.41 -42.66 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -71.77 -22.71 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -80.0 -59.95 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.807 -177.483 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.4 m -92.8 120.76 33.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.16 143.08 51.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -116.74 129.58 56.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.023 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -99.98 115.17 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -111.53 127.92 55.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.924 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.0 t -105.7 123.24 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.7 t -98.73 120.8 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.1 t -133.32 142.79 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.639 ' HA3' ' HB ' ' A' ' 81' ' ' VAL . . . 173.14 -174.39 45.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -67.49 137.5 55.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.116 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.32 141.91 34.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.07 17.95 73.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.461 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.475 HG22 ' HB1' ' A' ' 11' ' ' ALA . 88.1 t -104.74 -63.79 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.118 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.37 54.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -77.13 -48.15 18.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.802 0.334 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.414 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 39.8 t -71.22 -41.33 70.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.771 171.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.88 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -171.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.61 -33.06 73.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.6 m -64.46 -42.19 96.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.43 -38.4 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.636 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.4 tp-100 -60.09 -31.42 70.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.59 -45.97 18.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 175.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.0 mm -80.04 -51.43 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -170.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -97.96 -22.88 16.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 14.7 m120 69.54 34.97 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 175.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -159.84 142.15 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -89.29 116.42 27.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.801 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.72 166.48 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -88.01 8.3 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -89.99 79.06 6.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 24.8 t80 -80.65 135.8 36.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -61.98 145.4 92.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.688 . . . . 0.0 110.896 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.89 158.45 51.12 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -40.56 -52.14 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -107.89 130.01 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -158.89 155.72 28.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -76.22 171.39 14.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.434 ' HB3' HD13 ' A' ' 56' ' ' LEU . 99.7 p -80.05 160.9 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -124.67 143.81 50.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -133.14 144.45 49.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 -171.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -150.44 142.27 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -69.96 124.4 23.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -137.28 164.97 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.41 120.13 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 172.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -125.23 121.59 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t0 57.02 35.34 26.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -174.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.67 -0.76 85.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.539 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -108.06 130.08 55.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.88 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -70.7 127.49 32.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 175.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.3 p -152.9 173.75 14.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.9 tp -105.02 120.04 40.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.5 tp -97.82 114.94 27.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -108.61 112.53 24.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.1 mt -107.31 122.23 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -172.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 39' ' ' SER . 51.3 tp -110.47 124.79 52.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.986 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -86.14 150.22 24.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.1 p -88.5 164.28 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 62' ' ' GLU . . . -139.46 85.51 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.77 -117.08 9.73 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.547 176.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -85.65 -11.18 54.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.94 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.428 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 70.9 mm-40 -73.19 -9.23 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 174.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -54.38 -20.03 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -109.96 77.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -137.15 176.33 8.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.28 75.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.187 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.5 mtp -65.05 -42.34 94.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 177.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.426 ' HD3' HD22 ' A' ' 56' ' ' LEU . 1.8 mpp_? -76.22 -32.41 58.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -176.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.8 -39.56 94.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.45 -47.19 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -176.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -76.31 -46.54 27.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.985 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.1 tpt -65.13 -31.89 73.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.813 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.13 -39.28 92.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 63.4 m -80.03 -46.62 16.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.44 27.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 168.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -74.22 -46.0 44.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.76 162.59 28.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.457 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -153.39 129.17 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -175.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.5 tp -111.56 126.01 54.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.946 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 113' ' ' LEU . 76.6 m -103.31 122.41 44.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 175.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.639 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 58.4 t -108.41 118.46 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 -174.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.19 146.55 39.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -174.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.29 151.13 21.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.436 HG13 ' HB2' ' A' ' 123' ' ' ARG . 2.5 tp -89.17 -26.08 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -177.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.4 p-10 -97.14 -38.79 9.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -173.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -84.96 99.97 11.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -59.26 -36.44 75.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.51 -24.95 67.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -58.46 -37.53 75.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.913 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -63.28 -43.2 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.95 -42.94 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.23 -40.91 94.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.73 -39.93 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -57.83 -44.03 86.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' A' ' 95' ' ' GLN . 17.1 mt-30 -65.06 -41.22 95.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 176.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -59.71 -38.27 81.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -57.98 -48.33 80.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.53 -33.78 74.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -65.38 -45.42 84.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.984 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.44 -42.22 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.51 -43.69 80.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.98 -37.74 84.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.895 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.99 -40.07 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -84.46 -15.95 44.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 177.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 61.76 29.35 18.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -173.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.9 t -176.7 145.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.812 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -136.13 104.95 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -136.57 75.66 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 173.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.44 130.06 6.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.681 0.753 . . . . 0.0 111.067 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.5 134.22 23.96 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.629 2.22 . . . . 0.0 112.347 172.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 23.4 ptp -135.11 154.96 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -174.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.446 ' HA ' HD11 ' A' ' 139' ' ' ILE . 9.7 p -128.18 139.98 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.401 ' HA ' ' HB2' ' A' ' 80' ' ' CYS . 18.7 mt -97.85 116.25 29.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.006 -173.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.9 t -126.8 125.62 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.22 144.12 16.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.543 175.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -98.76 170.01 9.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 54.36 35.37 22.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.2 m -75.01 -8.59 56.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -94.89 0.92 55.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 tp -80.62 121.64 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.17 93.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.71 86.47 4.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.04 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.436 ' HB2' HG13 ' A' ' 84' ' ' ILE . 35.7 ptt-85 -145.34 155.22 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.855 -176.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.0 p -132.97 75.02 1.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 67.9 t -124.21 115.0 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -82.15 126.93 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 174.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.2 p -62.87 -29.85 71.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.72 -36.51 84.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -66.44 -45.26 80.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.66 95.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -66.61 -46.41 75.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.38 -41.93 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.82 -41.17 83.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.06 91.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.68 -32.88 70.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 71.5 m -67.45 -34.06 76.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -103.73 -0.79 28.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.34 34.09 86.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.446 HD11 ' HA ' ' A' ' 112' ' ' VAL . 20.4 tt -156.32 132.36 5.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.708 0.766 . . . . 0.0 111.128 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 74.2 Cg_exo -54.97 147.62 51.54 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 -178.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -84.95 132.9 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.407 HG21 ' HB3' ' A' ' 155' ' ' ALA . 43.1 mm -109.25 133.23 55.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 -172.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -107.13 129.7 54.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.427 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 14.9 t -141.97 165.85 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 176.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.451 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 27.6 t -135.85 116.21 13.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 168.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.85 -22.34 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.121 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.426 ' HG2' HG21 ' A' ' 148' ' ' THR . 85.8 tttt -60.0 -62.85 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -174.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.426 HG21 ' HG2' ' A' ' 147' ' ' LYS . 77.0 p -130.17 -24.51 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.451 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 45.0 ttt85 -90.02 130.01 36.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -166.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -96.76 101.0 12.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.427 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -109.03 -8.55 27.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.74 -41.32 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -57.29 -44.3 83.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.29 -39.92 89.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . 0.407 ' HB3' HG21 ' A' ' 142' ' ' ILE . . . -63.76 -39.63 94.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 177.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -65.27 -42.74 92.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -62.76 -40.22 96.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.965 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 92.5 m -68.97 -40.01 79.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.78 -47.73 82.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.999 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.94 -32.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.198 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.22 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -69.96 -35.51 74.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.01 -46.55 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.94 -23.01 63.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -174.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -89.69 -50.08 6.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.962 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.2 m -89.26 127.06 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.14 140.31 53.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -115.08 130.46 56.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.937 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HD2' ' HB ' ' A' ' 74' ' ' THR . 99.3 mttt -112.08 104.88 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -176.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.3 tp -104.95 116.42 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.6 t -99.86 119.41 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.9 t -106.53 117.0 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.53 142.16 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.073 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.73 -166.79 36.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.95 119.24 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.141 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.09 153.01 30.33 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.86 5.84 83.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 175.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.2 t -101.79 -70.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.813 0.339 . . . . 0.0 111.154 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.54 54.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.555 170.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -70.43 -53.25 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.4 ' O ' HG12 ' A' ' 21' ' ' ILE . 85.7 p -68.17 -32.75 73.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.791 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 29' ' ' VAL . . . -63.09 -38.25 90.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.614 HD11 ' HA3' ' A' ' 151' ' ' GLY . 36.7 tp -67.58 -41.59 83.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.8 p -68.15 -17.47 64.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 17' ' ' SER . 37.5 mm -56.23 -30.04 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 3.2 tp-100 -56.57 -39.78 74.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.86 -38.68 37.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mm -80.74 -52.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 -171.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.573 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 93.0 mm-40 -107.08 -14.99 14.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -172.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.573 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.5 m-20 80.04 36.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 172.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -158.15 165.02 36.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 171.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.453 ' CZ ' ' HG2' ' A' ' 22' ' ' GLN . 73.9 m-85 -104.91 128.6 53.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -177.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 30.5 m -133.16 160.0 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.053 172.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -100.27 9.97 41.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -94.18 94.12 8.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -90.02 161.22 15.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.999 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.449 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 95.4 m-20 -66.61 149.97 97.78 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.522 0.677 . . . . 0.0 110.932 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -50.25 154.01 6.31 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.626 2.218 . . . . 0.0 112.392 173.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 m -46.42 -42.02 14.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.0 mt -108.1 107.09 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.15 172.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 33' ' ' ASP . 7.3 tp10 -170.02 153.29 4.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -178.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -82.51 169.98 15.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.402 ' HB3' ' HB2' ' A' ' 57' ' ' ASP . 78.8 p -111.16 174.27 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -112.23 152.6 28.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -162.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp85 -129.25 150.12 50.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.856 174.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -146.83 136.65 23.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -172.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -76.43 124.24 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 173.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.6 161.88 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -171.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -107.33 123.73 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 171.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.23 118.97 56.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 55.0 34.26 22.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -176.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.11 -3.06 87.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.506 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -97.27 122.09 39.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -79.31 124.98 28.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 177.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.6 p -152.88 171.18 18.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -172.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -105.7 120.95 42.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.3 tp -97.87 111.1 23.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -102.32 112.7 25.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.1 mt -104.75 117.98 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -104.82 110.67 23.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.402 ' HB2' ' HB3' ' A' ' 39' ' ' SER . 92.6 m-20 -100.0 128.09 46.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -176.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.8 p -94.64 160.66 14.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.52 133.14 27.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.2 -115.25 7.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.467 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -108.18 16.77 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -65.29 -31.52 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.7 pm0 -60.31 -20.88 60.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -172.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -94.92 87.87 5.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 174.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.9 p -165.15 163.08 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.53 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mmm -64.03 -37.11 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -79.84 -36.07 37.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.07 -39.3 71.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -55.52 -44.35 76.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -74.22 -35.56 63.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.0 mmm -66.27 -25.8 67.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -60.93 -33.36 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 5' ' ' LYS . 87.6 m -87.04 -50.02 6.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 176.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.609 ' HA3' HG23 ' A' ' 109' ' ' VAL . . . 73.6 39.71 48.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 166.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -61.65 -57.58 11.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.18 158.33 27.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 176.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -143.55 127.79 17.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.5 tp -110.43 121.02 44.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.964 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.0 t -105.59 115.86 30.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 178.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.57 123.67 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -170.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -110.6 152.84 25.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.7 135.87 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 164.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.5 pt -87.48 -13.83 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -170.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -94.87 -38.89 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 -177.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -88.3 103.62 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.4 m -58.93 -37.55 76.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.27 -27.41 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -174.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.1 m -60.56 -38.46 84.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -63.32 -43.69 97.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.815 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.29 -43.46 70.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.68 -42.25 95.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.0 -40.11 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -56.87 -43.92 81.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -64.96 -41.95 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -57.05 -40.93 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -62.67 -43.13 99.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.864 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.02 -38.77 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -65.9 -46.4 78.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.22 -41.58 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.92 -41.76 83.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.72 -35.12 79.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.39 -40.06 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -88.39 -12.86 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 62.29 25.64 15.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -175.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.2 t -179.1 147.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -121.93 110.76 16.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 171.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -129.96 36.26 4.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 171.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.609 HG23 ' HA3' ' A' ' 75' ' ' GLY . 80.8 t -119.41 121.52 30.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.697 0.761 . . . . 0.0 111.086 -174.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -68.64 136.61 36.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 27.8 ptm -138.83 153.47 48.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.1 t -125.02 136.27 61.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.468 HD13 ' HG ' ' A' ' 133' ' ' LEU . 31.5 mt -95.2 114.57 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -174.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.3 t -129.56 129.82 66.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.81 151.23 18.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 170.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -100.02 170.09 8.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 58.12 45.09 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 174.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.2 p -67.17 -17.58 64.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.914 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -93.44 0.63 56.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.1 tp -85.08 119.77 25.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.14 89.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.066 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.22 119.43 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -165.84 153.5 10.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.4 p -135.05 70.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.9 t -124.58 119.77 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -78.76 132.84 37.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.8 p -63.56 -31.86 73.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.97 -37.47 87.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -66.92 -42.78 84.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.0 94.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -65.11 -49.78 68.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.08 -35.31 79.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.468 ' HG ' HD13 ' A' ' 113' ' ' LEU . 55.1 tp -62.79 -46.03 89.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.21 94.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.21 -31.7 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 96.0 p -67.67 -29.9 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.783 -176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -109.49 -1.12 18.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -178.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.51 29.06 71.72 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.407 175.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 139' ' ' ILE . 4.3 tp -149.98 126.76 5.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.7 0.762 . . . . 0.0 111.122 -176.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 72.6 Cg_exo -54.83 145.01 63.69 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.287 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -94.6 125.82 39.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 48.1 pt -120.23 148.64 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.115 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -106.28 128.61 54.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 30.4 p -134.4 178.84 6.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.208 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.438 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 46.4 t -138.5 122.11 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 173.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.91 63.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.161 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -73.91 -52.15 13.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -166.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 66.6 p -129.38 -27.78 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.2 -171.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.438 ' HB2' ' H ' ' A' ' 145' ' ' SER . 40.0 mmt180 -88.24 151.26 22.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -164.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 116.42 10.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 176.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.614 ' HA3' HD11 ' A' ' 19' ' ' LEU . . . -125.58 -98.23 1.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 -172.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.469 ' HB ' ' HG ' ' A' ' 19' ' ' LEU . 13.3 p -53.55 -30.27 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 -173.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -56.26 -47.59 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.55 -41.67 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.52 93.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.89 -37.32 84.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -59.87 -40.94 90.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.3 m -62.03 -42.85 99.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.32 -46.39 83.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 32.7 m -73.25 -28.03 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.45 -39.66 94.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.84 -39.95 83.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.34 -45.89 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -70.51 -41.72 72.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.819 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -74.73 -35.03 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 174.746 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.4 m -92.46 123.59 35.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -125.61 145.03 50.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.845 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -118.54 111.54 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.001 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HD2' ' HB ' ' A' ' 74' ' ' THR . 96.9 mttt -94.14 100.11 12.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -175.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.1 tp -107.53 119.76 40.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.7 t -98.58 118.99 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.15 125.05 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.1 m -134.18 156.25 40.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.485 ' HA3' ' HB ' ' A' ' 81' ' ' VAL . . . -172.76 -177.1 41.86 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.66 136.91 50.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.094 -173.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.79 93.84 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.42 11.55 3.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 172.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -92.13 -65.96 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.04 72.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.491 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -73.96 -49.97 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 -170.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -65.11 -40.02 93.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.04 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.48 -38.07 88.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.454 ' HB ' HG21 ' A' ' 55' ' ' ILE . 76.0 p -65.15 -26.51 68.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -176.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.34 -27.88 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.519 ' HG3' ' HB2' ' A' ' 153' ' ' GLU . 34.3 tp60 -56.23 -32.76 64.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.39 -42.76 29.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mm -80.03 -56.82 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -166.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -113.15 -5.08 13.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 14.1 m120 68.36 48.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 175.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -159.97 147.46 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -176.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -103.99 120.89 42.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 173.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.03 154.28 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 -168.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -98.19 -21.14 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -81.05 82.69 6.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -73.38 142.15 46.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -169.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -69.85 153.58 95.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -60.4 156.47 40.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.7 m -45.66 -45.02 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.911 -174.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -101.02 126.87 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 175.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -159.55 154.85 25.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -75.28 170.03 16.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.6 p -83.45 170.2 14.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -122.05 145.63 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.86 147.24 51.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -150.95 134.62 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -73.9 124.95 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 53' ' ' LEU . 32.6 m -137.61 166.06 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 -175.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -107.69 122.57 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 171.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.45 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 87.8 mt -127.12 127.15 69.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 89.9 m-20 64.63 22.64 12.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -175.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.44 0.76 89.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -108.98 131.27 55.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.91 0.386 . . . . 0.0 110.85 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.4 m -68.6 129.22 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.196 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 p -153.76 174.95 13.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.1 tp -106.57 123.74 48.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.428 ' HB2' HG22 ' A' ' 44' ' ' VAL . 57.7 tp -94.24 118.07 31.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -108.12 116.4 31.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.454 HG21 ' HB ' ' A' ' 20' ' ' THR . 42.7 mm -100.77 117.85 46.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.491 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.3 tm? -100.01 115.46 29.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -102.69 132.6 48.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 174.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 p -80.79 158.0 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -144.78 86.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.26 -110.98 3.78 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -96.08 2.12 53.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -62.97 -32.08 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -59.42 -21.03 59.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -97.46 77.82 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.027 174.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -151.38 165.46 34.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.53 -32.44 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.7 mtp -64.37 -42.84 95.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -79.98 -24.25 41.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.35 -36.52 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -65.12 -43.44 91.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -63.85 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.6 tpp -68.46 -34.16 75.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.896 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -60.35 -36.3 77.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -175.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 5' ' ' LYS . 95.1 m -87.5 -53.31 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.212 173.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.31 29.98 75.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.479 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -44.06 -48.98 8.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -170.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.75 154.42 25.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.452 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -130.09 132.42 46.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.915 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 57.9 tp -110.18 126.41 54.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.7 m -105.63 124.4 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.485 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 95.6 t -106.71 134.12 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.47 ' HB2' HD11 ' A' ' 113' ' ' LEU . 92.9 t80 -123.22 138.76 54.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.81 134.17 42.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 175.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.1 tp -79.67 -20.05 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -98.87 -36.23 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -82.71 101.36 10.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.2 m -57.89 -36.37 72.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.17 -26.21 60.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.9 t -52.52 -37.42 57.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -175.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -59.58 -42.92 93.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.57 -37.02 86.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 87.1 m-20 -64.08 -48.65 75.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.9 pt -72.66 -25.61 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.6 -50.24 72.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 8.4 pt20 -70.09 -30.18 67.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -59.8 -45.4 92.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -62.27 -46.2 89.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.44 -38.82 88.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.51 -47.24 79.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.5 mt -56.15 -43.52 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.216 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.03 -45.12 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -65.61 -39.02 91.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -171.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.85 -39.6 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -95.85 -7.3 37.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 60.51 30.45 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 t -174.98 143.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -174.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -135.99 110.59 8.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 173.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -135.35 48.34 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 168.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.87 120.38 19.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 111.141 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.0 131.79 48.51 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 65.5 mtt -121.87 153.81 37.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.6 134.4 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 82' ' ' PHE . 37.9 tp -103.64 125.04 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 178.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 114' ' ' VAL . 8.5 p -119.33 125.02 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.06 137.42 13.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.555 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -94.69 156.74 16.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 99.4 mttt 46.49 50.8 12.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.5 p -68.94 -17.48 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -91.89 -3.85 55.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 117' ' ' LYS . 55.7 tp -65.13 130.43 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -89.63 -34.29 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.003 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.26 85.37 7.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.081 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -159.98 173.18 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 -175.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.2 p -125.09 24.37 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.136 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.39 133.52 52.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -85.41 129.6 34.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 167.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.5 p -62.21 -28.74 69.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -175.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.85 -38.34 90.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.934 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -68.73 -43.34 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.48 -34.92 73.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 177.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -64.74 -45.27 87.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -63.36 -33.74 76.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.86 -36.65 80.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.949 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.04 77.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 172.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.27 -32.48 73.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.5 p -67.62 -22.52 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.419 ' HB2' HG12 ' A' ' 139' ' ' ILE . 77.9 m-85 -99.18 -4.03 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.85 26.9 65.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.42 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.419 HG12 ' HB2' ' A' ' 137' ' ' TYR . 43.2 pt -125.17 153.4 71.66 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.68 0.752 . . . . 0.0 111.034 -174.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.29 151.67 54.66 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -118.77 129.39 55.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 73.0 mt -117.88 134.89 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.05 115.51 27.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 41.7 p -135.22 -179.78 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -154.04 118.16 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.809 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.09 -22.89 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.066 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -71.63 -50.87 26.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -171.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 80.7 p -125.12 -20.85 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 -171.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -105.72 172.34 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -170.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.82 132.59 33.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 166.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -115.23 -82.52 1.03 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -173.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.46 -39.95 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 111.119 -176.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.519 ' HB2' ' HG3' ' A' ' 22' ' ' GLN . 88.5 tt0 -56.87 -45.16 82.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -66.97 -41.93 86.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.66 85.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.33 -40.26 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -61.46 -40.11 93.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 98.1 m -66.96 -40.57 87.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.102 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.5 mt -59.33 -45.44 91.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.22 -45.03 99.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.05 -47.21 83.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -79.3 -48.0 14.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -174.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.0 -46.58 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 -172.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -71.59 -24.58 61.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -80.0 -60.01 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -177.566 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.889 0.376 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -96.96 117.93 32.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -142.62 120.44 11.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -119.74 142.33 48.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 175.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -103.64 112.21 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mp -116.55 132.48 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.717 HG22 ' HB3' ' A' ' 71' ' ' TYR . 53.0 t -119.41 132.5 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 178.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.9 t -98.26 119.91 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.64 165.71 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.4 -173.43 41.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.419 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.01 145.1 54.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 111.036 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.45 130.69 40.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.68 -21.46 40.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 175.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.63 -69.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 111.042 -172.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.94 69.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.444 174.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -50.01 12.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.7 m -72.77 -29.89 63.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.91 -39.2 68.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 tp -69.62 -45.33 68.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.9 p -65.76 -30.98 71.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.1 mm -75.95 -37.99 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 172.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 28.5 tp60 -63.99 -38.11 89.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.973 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.3 -48.19 20.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -88.58 -46.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -170.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 99.2 mm-40 -101.1 -9.12 21.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -174.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 96.3 m-20 68.65 34.27 3.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -135.67 149.42 49.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -112.96 105.3 13.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 174.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.22 160.6 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.198 -171.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -95.31 9.39 40.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -82.01 81.38 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -75.25 150.04 38.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.004 -170.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -75.6 151.01 84.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.83 -169.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.9 163.43 33.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.395 175.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.539 ' HB3' ' HA3' ' A' ' 60' ' ' GLY . 92.5 p -65.41 -15.09 62.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.81 129.9 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.184 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -48.67 110.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -133.73 74.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.7 p -78.61 158.86 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -127.03 159.84 32.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.91 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -123.96 138.13 54.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -141.27 132.72 26.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -172.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -108.79 130.13 55.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 175.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.06 159.36 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -173.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -109.76 123.21 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.2 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.415 HG23 ' HG2' ' A' ' 161' ' ' ARG . 82.4 mt -126.31 113.87 35.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -177.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.31 34.31 17.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.09 -0.06 88.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -96.05 134.34 39.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.855 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.8 m -83.31 122.46 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.181 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.0 m -128.46 141.24 51.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -177.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.4 tp -115.41 129.51 56.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.897 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 pp -137.22 149.87 47.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -102.23 133.85 46.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.4 mt -105.62 120.2 56.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.516 ' HB2' HG23 ' A' ' 7' ' ' VAL . 80.0 mt -103.89 125.67 50.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 176.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -92.39 163.36 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -177.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.8 m -111.47 130.56 55.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -170.3 141.14 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' ' 35' ' ' SER . . . 79.17 29.51 50.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 169.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -167.46 149.29 5.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.343 . . . . 0.0 110.843 175.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -75.38 -44.72 43.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.39 -60.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -171.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -169.09 142.75 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.985 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 t -99.87 -162.62 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 168.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.31 -34.95 77.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.7 mtp -65.01 -42.55 94.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.3 -22.3 30.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -174.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.35 -27.16 69.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -62.33 -51.38 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -174.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.717 ' HB3' HG22 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -68.06 -27.02 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -177.572 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.1 mtp -64.49 -37.42 87.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 172.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -69.68 -43.04 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.9 p -94.73 -54.06 3.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -171.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.467 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 81.73 23.27 58.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -176.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.57 -44.5 93.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.985 0.421 . . . . 0.0 110.887 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.02 145.13 4.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -155.73 152.35 28.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.419 . . . . 0.0 110.827 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.0 tp -102.1 128.54 48.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 -176.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.49 113.55 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.1 m -114.91 138.53 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -140.95 161.54 37.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.76 132.23 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.6 tp -74.86 -19.89 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.15 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -91.5 -17.92 24.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -175.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -91.86 113.55 25.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.9 m -68.42 -44.38 75.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.65 -34.72 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -173.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.9 m -61.51 -38.84 88.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.004 0.43 . . . . 0.0 110.847 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -60.28 -41.5 93.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -71.16 -38.68 72.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.19 -40.63 94.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.833 -171.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.7 pt -67.37 -32.42 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -65.91 -48.8 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 174.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.429 HE21 ' HB2' ' A' ' 95' ' ' GLN . 16.8 mt-30 -63.22 -43.05 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.49 -48.75 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -60.73 -45.02 95.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.904 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.95 -35.96 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -68.8 -52.62 28.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -175.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.1 pt -62.36 -31.67 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.68 -44.54 96.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.27 -36.83 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.01 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -94.98 2.16 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 47.95 45.07 19.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.7 m -113.49 161.27 17.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -170.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -85.3 -175.13 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -70.41 119.86 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.467 HG11 ' HA3' ' A' ' 75' ' ' GLY . 30.9 m -112.49 158.94 35.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.089 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -54.45 128.44 30.15 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 -177.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 66.1 ttp -152.1 152.07 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.9 t -124.89 131.19 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.131 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.4 tp -105.23 122.12 45.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -174.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.3 128.49 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 -173.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.24 133.59 11.37 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.5 170.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -95.38 175.07 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 -173.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 47.15 47.42 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 173.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 25.3 p -73.48 -7.83 53.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -96.69 -7.06 35.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 175.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.6 tp -74.84 128.43 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.52 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.92 88.17 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -128.32 169.12 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 10.9 t -84.4 -166.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 168.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.8 p -40.05 136.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.17 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -52.77 153.65 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -163.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.5 p -63.04 -18.2 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -60.27 -33.95 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.93 -39.8 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.85 78.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -61.6 -47.01 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.54 -35.88 80.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.93 -43.72 91.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 176.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.31 86.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 175.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.43 -37.37 86.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.3 p -66.67 -23.59 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.471 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.8 m-30 -93.19 -6.88 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 178.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.26 28.79 67.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.515 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.474 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 46.0 pt -127.41 160.06 62.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 111.093 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.474 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 77.6 Cg_endo -72.58 150.79 51.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.365 175.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -116.48 134.08 55.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 42.8 mm -109.84 128.28 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -106.28 122.7 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 171.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.589 HG22 ' HA3' ' A' ' 151' ' ' GLY . 14.6 t -143.52 176.12 9.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.05 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.464 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 24.7 t -122.21 117.37 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 172.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.05 -26.88 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -176.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -89.53 -52.43 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -174.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 77.3 p -106.21 -19.38 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 -162.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.464 ' HB2' ' H ' ' A' ' 145' ' ' SER . 88.1 mtt-85 -119.77 160.63 22.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 -171.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -89.95 111.06 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 170.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.589 ' HA3' HG22 ' A' ' 144' ' ' THR . . . -111.08 -74.58 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 -172.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.73 -32.37 42.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 111.174 -169.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.08 -46.78 87.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -69.2 -35.48 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.61 91.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.79 -42.45 97.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -61.39 -38.97 88.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 177.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.4 m -65.13 -43.81 90.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.129 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.77 -48.81 78.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.927 -174.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.36 -34.94 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.049 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.415 ' HG2' HG23 ' A' ' 46' ' ' ILE . 99.7 mtt180 -64.84 -42.0 95.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -68.83 -36.83 78.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -66.93 -44.4 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.031 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -66.86 -33.41 75.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -76.25 -59.85 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -178.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.1 m -100.55 127.79 46.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -111.86 133.85 53.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -122.42 143.72 49.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 173.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.92 109.4 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -106.74 119.08 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.0 t -118.16 118.8 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -96.56 126.59 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -175.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 m -129.35 164.56 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.202 -170.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 81' ' ' VAL . . . 145.72 -174.44 25.7 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.23 141.52 54.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.063 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.09 134.23 36.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.474 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.53 -1.36 64.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 175.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.4 t -86.88 -64.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.102 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.01 66.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -48.35 14.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 168.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -66.13 -31.88 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.796 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.15 -39.12 63.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 -170.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.97 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.906 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -60.98 -39.97 91.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.43 -42.43 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.448 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 1.5 tm0? -65.12 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.83 -49.87 34.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.1 mm -83.03 -41.82 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 -171.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -109.94 -27.77 9.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.998 -172.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER 70.11 40.62 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.31 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -129.82 157.22 42.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -110.93 100.16 8.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.8 m -135.17 165.9 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -95.05 10.01 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.56 79.07 9.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -82.15 159.62 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -170.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -64.58 149.62 95.15 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.727 . . . . 0.0 110.807 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.81 159.47 51.29 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 176.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -64.94 -15.09 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.23 129.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.97 108.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -142.83 98.09 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.7 p -80.93 154.98 26.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -128.6 161.23 30.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.97 143.26 50.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -147.82 130.01 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -94.47 127.0 40.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 174.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -136.82 164.88 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -99.51 119.7 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 174.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.4 mt -126.18 123.63 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t0 60.51 31.14 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -176.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.4 -0.37 89.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -109.96 128.96 55.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.944 0.402 . . . . 0.0 110.799 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.3 m -74.48 128.56 35.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.16 167.83 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.2 tp -112.68 134.61 54.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.888 ' O ' HD12 ' A' ' 53' ' ' LEU . 2.8 pp -124.6 145.33 49.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 177.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -98.0 135.66 39.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 177.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.0 mt -105.91 115.05 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 -172.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.6 mt -120.15 116.51 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -94.2 133.15 38.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.407 HG22 ' HG3' ' A' ' 68' ' ' ARG . 30.4 p -112.21 157.56 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.99 138.41 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.94 51.6 18.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 167.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -116.09 147.43 41.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.18 -53.13 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -119.95 -55.78 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -168.51 149.14 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.7 p -86.62 175.94 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.9 -32.72 73.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 168.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 67.6 mtt -68.13 -41.79 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' HG3' HG22 ' A' ' 58' ' ' THR . 99.7 mtt180 -67.75 -35.47 78.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 178.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -61.38 -34.54 75.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -62.58 -50.82 69.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -175.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -72.53 -27.01 61.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -177.356 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 86.3 mtp -65.28 -39.28 92.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 170.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -72.26 -39.73 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.888 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -90.45 -55.11 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.097 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.73 24.76 37.45 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.428 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -67.99 -41.03 82.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.97 0.414 . . . . 0.0 110.79 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.1 157.12 8.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.549 174.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -153.58 149.82 28.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.3 tp -104.21 127.91 51.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.0 t -111.55 115.67 29.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.453 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 21.4 m -114.6 143.43 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -141.07 163.51 32.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.54 130.78 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.617 ' O ' HG23 ' A' ' 124' ' ' THR . 8.8 tp -69.89 -17.04 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -174.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -91.54 -15.67 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -86.19 116.85 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.1 m -67.67 -41.26 84.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.096 -178.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -75.19 -28.08 59.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.857 -167.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -63.15 -57.69 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -164.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -68.9 -27.89 66.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.935 -175.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.55 -43.77 75.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.89 -35.07 77.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.89 -39.94 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -54.71 -45.23 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -65.3 -43.17 91.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -60.31 -39.59 87.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.403 ' HD3' ' SD ' ' A' ' 111' ' ' MET . 23.6 tpt180 -59.99 -47.26 86.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -176.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -69.71 -36.31 75.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.65 -53.64 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -172.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.2 pt -63.46 -31.84 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.045 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.72 -45.68 91.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 176.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -71.28 -37.47 71.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.7 t -63.13 -40.22 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -94.96 0.73 54.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 49.17 44.92 23.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.856 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.3 m -120.03 171.52 8.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -170.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -84.57 -175.85 5.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.83 139.68 55.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.64 156.49 61.42 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 111.113 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -55.14 121.05 9.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.285 -175.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.403 ' SD ' ' HD3' ' A' ' 97' ' ' ARG . 21.3 ttt -145.63 142.35 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.1 t -129.35 133.78 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 169.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -102.98 118.41 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.7 t -122.46 128.02 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -174.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.22 143.17 15.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 171.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -92.58 174.03 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.883 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 98.2 mttt 55.9 64.84 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 170.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.25 -15.07 60.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -101.37 4.68 41.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.509 ' HB2' ' HB3' ' A' ' 117' ' ' LYS . 55.4 tp -75.54 132.71 40.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.89 -36.92 18.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.58 75.75 10.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -117.44 171.68 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 84' ' ' ILE . 14.5 t -80.06 -167.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.212 175.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 79.5 t -43.29 141.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.147 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -47.01 150.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 -166.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.8 p -62.26 -18.91 62.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.38 -31.6 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.47 -47.88 79.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.24 -34.89 78.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.02 -42.72 99.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -68.92 -36.01 77.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 133' ' ' LEU . 0.6 OUTLIER -65.46 -36.83 85.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 175.828 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.39 -36.13 78.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 170.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -65.08 -33.81 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 56.6 p -64.23 -24.85 67.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -175.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -106.43 -0.07 24.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.6 33.62 67.27 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.409 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 46.8 pt -112.45 148.88 40.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 0.0 111.126 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 51.9 Cg_exo -58.66 142.64 98.65 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -123.67 130.02 52.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 88.1 mt -123.53 126.7 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -101.95 110.34 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 171.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.2 t -151.43 -174.46 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 -172.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.5 m -129.92 124.92 34.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 171.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.51 -30.88 71.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -87.01 -49.31 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -170.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.1 p -107.08 -15.7 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.126 -164.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -116.5 158.54 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -74.01 91.27 2.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 173.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -111.11 -74.99 0.77 Allowed Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.455 -171.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.8 m -60.09 -30.77 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 0.0 111.099 -168.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.76 -49.8 76.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.84 -35.66 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.85 95.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -65.05 -39.75 93.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -62.02 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.7 p -71.65 -30.83 66.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 53.7 tp -64.48 -42.63 95.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.8 t -61.59 -40.08 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.044 174.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.04 -38.36 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -69.37 -38.57 78.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.27 -45.01 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -68.03 -25.57 65.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -75.39 -48.06 24.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.965 175.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.7 mtm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.893 0.377 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -81.35 129.72 34.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -87.22 127.43 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.655 ' OH ' ' HA3' ' A' ' 77' ' ' GLY . 63.1 t80 -117.15 127.78 54.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -94.83 99.86 11.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.456 HD21 HG12 ' A' ' 55' ' ' ILE . 64.1 tp -102.92 117.64 35.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -176.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.09 131.47 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -78.83 125.03 38.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.39 139.91 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 81' ' ' VAL . . . 128.36 166.03 11.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.445 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.21 146.19 28.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.81 0.338 . . . . 0.0 111.114 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.97 -163.52 34.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.27 -4.74 25.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.91 -62.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.949 0.405 . . . . 0.0 111.221 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.03 70.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.31 -34.22 77.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 t -61.71 -43.01 99.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 177.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . . . -57.77 -42.99 85.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.111 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.419 HD23 ' HB ' ' A' ' 152' ' ' VAL . 93.0 mt -63.78 -41.9 97.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -176.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.9 p -73.88 -34.26 64.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.0 mt -66.6 -42.75 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 25.2 mt-30 -65.25 -32.47 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -62.45 -50.32 71.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.418 HG13 ' HG2' ' A' ' 25' ' ' GLN . 50.0 pt -80.03 -20.02 12.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -172.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.5 mm-40 -100.67 -27.64 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 65.01 31.99 10.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 98.4 m-70 -129.26 175.26 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -99.04 118.38 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.8 t -126.4 125.66 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 -167.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -104.05 -29.45 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.08 85.3 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 18' ' ' ALA . 41.7 p90 -101.03 170.44 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -174.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -71.85 151.43 93.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.598 0.713 . . . . 0.0 110.922 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 36' ' ' ILE . 37.2 Cg_endo -61.59 156.45 47.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.393 176.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 t -63.3 77.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' PRO . 48.4 pt -134.09 162.06 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.29 103.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 175.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -155.04 102.0 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -176.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -90.35 153.44 20.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -126.03 143.22 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.88 142.92 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -140.28 131.29 26.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -78.6 124.43 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.7 t -136.62 146.94 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -98.78 124.13 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 171.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.436 HG12 HG13 ' A' ' 160' ' ' VAL . 77.5 mt -123.97 118.56 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.13 30.29 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.71 -4.38 84.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.505 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.58 123.47 44.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.929 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -74.18 127.54 33.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.231 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 p -145.85 167.7 22.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.913 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -114.86 119.69 37.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.9 mp -94.11 118.83 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -99.37 117.72 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.456 HG12 HD21 ' A' ' 6' ' ' LEU . 82.2 mt -89.02 118.69 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 -177.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' HB2' ' A' ' 71' ' ' TYR . 40.0 mt -101.74 114.96 29.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -165.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -97.64 154.43 17.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.3 t -76.55 151.66 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -146.46 139.61 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.2 -102.69 1.49 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -75.46 158.33 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 111.002 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.06 -44.93 75.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -100.5 -29.96 12.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -173.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.34 129.52 47.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -175.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.572 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 27.5 t -160.76 138.77 9.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.84 -31.42 72.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 170.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 62.5 tpp -79.96 -44.56 20.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.789 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 77.6 ttt-85 -91.18 -62.37 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -172.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.76 -49.1 67.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -169.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -54.04 -42.44 69.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.943 -176.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.465 ' HB2' HD13 ' A' ' 56' ' ' LEU . 68.1 m-85 -78.84 -34.84 44.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.866 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 58.5 ttp -56.51 -30.74 63.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -59.83 -28.05 67.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -177.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.6 m -69.88 -42.25 73.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.53 31.69 26.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 170.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.4 -59.5 5.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.655 ' HA3' ' OH ' ' A' ' 4' ' ' TYR . . . -171.67 170.32 43.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 174.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -149.89 148.14 28.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 110.877 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.96 126.7 54.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.7 m -91.06 111.65 23.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -172.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.496 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 92.7 t -117.66 132.31 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.405 ' HB2' HD11 ' A' ' 113' ' ' LEU . 53.6 t80 -102.87 134.77 45.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -175.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.76 145.51 47.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.7 mt -73.64 -32.0 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -167.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -109.97 -29.9 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -174.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -80.3 99.85 8.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -171.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.9 m -61.27 -36.83 81.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.89 -18.72 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -54.02 -35.97 62.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -56.02 -44.44 78.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -68.07 -44.73 75.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.6 -35.94 82.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.77 -44.22 99.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 137' ' ' TYR . 81.6 t60 -60.0 -47.1 87.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 176.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 95' ' ' GLN . 17.7 mt-30 -62.84 -44.15 96.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.999 -177.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -62.44 -37.79 87.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -62.4 -42.55 99.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 175.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -65.15 -38.13 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -66.52 -45.28 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.418 ' HA ' HG23 ' A' ' 103' ' ' VAL . 93.6 mt -62.45 -39.89 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.071 175.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -56.02 -39.0 71.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -68.78 -52.57 28.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 100' ' ' ILE . 26.7 m -74.95 -24.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -167.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -72.44 -17.31 61.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -171.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 43.1 44.7 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 172.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.5 p -157.27 -178.85 7.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -71.93 166.05 22.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -84.78 134.7 34.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -174.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.8 t -110.66 130.07 23.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.62 134.58 41.63 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.409 -178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 26.2 mmt -129.93 154.44 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -176.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.8 t -127.63 132.31 69.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.102 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 82' ' ' PHE . 56.2 tp -97.79 122.18 40.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.983 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.34 129.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -119.07 167.67 13.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.442 174.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 144' ' ' THR . 71.7 m-80 -106.5 156.74 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.889 0.376 . . . . 0.0 110.913 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -117.84 -58.2 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.8 m -91.28 4.2 52.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.897 -169.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -86.04 -10.2 55.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -176.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.3 tp -152.97 130.4 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.86 79.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.42 96.94 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 176.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 92.4 mtm180 -100.37 149.94 23.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -175.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.8 t -81.78 -168.67 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 33.6 m -58.52 160.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 -178.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -47.82 147.84 1.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.7 p -64.86 -26.57 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -172.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.12 -44.37 95.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -75.32 -41.11 57.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.78 80.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -61.23 -49.06 78.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.95 -36.15 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.95 -44.97 94.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.4 93.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.87 -34.42 78.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 77.8 p -67.02 -22.43 65.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.618 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 45.8 m-85 -101.14 5.08 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.17 12.28 57.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 165.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.5 mt -129.87 129.98 23.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.71 0.766 . . . . 0.0 111.078 -176.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.78 148.29 76.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -121.7 129.97 53.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -171.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 92.9 mt -123.5 134.93 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -104.44 128.78 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 14.6 t -143.75 -170.35 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.102 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.3 t -134.91 107.6 7.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 169.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.59 -24.88 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -169.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.16 -38.78 20.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -171.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.9 p -109.52 -19.0 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -170.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -136.75 179.09 6.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -177.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -65.16 115.74 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 174.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.403 ' HA2' HG22 ' A' ' 144' ' ' THR . . . -129.54 -104.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -173.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.419 ' HB ' HD23 ' A' ' 19' ' ' LEU . 11.6 p -56.21 -29.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.805 0.336 . . . . 0.0 111.15 -176.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.6 -43.35 80.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -67.62 -40.3 84.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.8 96.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -67.32 -45.29 76.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -68.44 -36.92 79.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 59.9 m -62.37 -42.75 99.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 174.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.37 -46.29 83.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.436 HG13 HG12 ' A' ' 46' ' ' ILE . 55.5 t -59.56 -41.45 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 177.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.27 -38.69 92.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -69.4 -35.73 76.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -65.73 -48.33 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.171 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -69.65 -22.83 63.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -75.82 -59.93 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 178.282 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 ttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 99.5 m -88.59 121.02 30.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -100.1 132.25 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -176.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.712 ' OH ' ' HA3' ' A' ' 77' ' ' GLY . 82.2 t80 -127.98 129.91 47.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -95.0 113.6 25.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -108.33 118.01 35.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.96 134.52 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.049 -176.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.79 121.21 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 98.5 t -135.04 145.89 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.09 -157.27 22.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.531 173.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.86 144.97 43.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 -176.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.04 -178.38 29.09 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.73 -44.42 1.84 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.413 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.13 -58.19 8.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.88 0.371 . . . . 0.0 111.155 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.484 ' HA3' ' HB1' ' A' ' 18' ' ' ALA . . . 164.99 72.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.478 174.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -57.12 -47.88 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.931 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -75.83 -36.66 59.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.484 ' HB1' ' HA3' ' A' ' 15' ' ' GLY . . . -62.92 -41.82 99.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -174.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.23 -36.57 79.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.4 m -61.09 -43.13 99.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 171.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.72 -40.0 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 176.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 7.8 tt0 -62.95 -36.89 84.95 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -64.98 -50.02 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.68 HG13 ' HG2' ' A' ' 25' ' ' GLN . 38.9 pt -87.97 -21.18 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.155 -166.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.68 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.2 mm-40 -114.06 -17.58 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.0 m-20 70.15 20.12 6.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 -175.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -137.39 141.9 41.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -98.94 121.07 40.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.53 124.95 69.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.08 -174.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.97 -38.21 76.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -90.02 79.93 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -94.79 168.14 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -172.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -70.66 146.39 93.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -170.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.93 157.07 63.41 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -64.28 76.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 pt -124.94 159.46 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.163 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.1 99.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -159.63 100.25 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -176.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.1 p -81.76 152.42 27.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -125.1 145.0 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -122.56 140.32 52.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -175.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -146.68 124.25 11.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 173.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -78.21 124.13 27.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.513 HG21 ' SG ' ' A' ' 51' ' ' CYS . 27.2 m -136.81 163.31 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.1 t -116.19 129.55 72.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.8 mt -123.53 119.51 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t0 55.72 35.12 24.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.2 -0.04 88.18 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -102.16 130.41 48.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.941 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.0 m -71.93 127.13 31.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.513 ' SG ' HG21 ' A' ' 44' ' ' VAL . 26.8 p -147.04 165.1 30.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.8 tp -113.06 126.95 56.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.1 tp -91.99 111.09 22.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -105.0 108.95 20.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.8 mt -96.29 124.9 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.5 mt -116.17 111.92 20.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -170.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -94.01 161.72 14.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -72.82 150.02 43.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.12 128.88 48.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.02 -106.31 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -85.04 159.13 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.656 0.265 . . . . 0.0 110.991 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.11 -49.07 71.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -172.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -98.1 -38.9 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -174.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -96.68 110.3 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.926 -174.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.797 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 40.1 t -156.29 139.96 16.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -175.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.33 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 169.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ttt -77.09 -51.17 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.797 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 78.0 ttt-85 -63.58 -50.01 71.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -173.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -72.05 -35.01 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -170.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -64.96 -48.3 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -74.67 -32.08 62.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.957 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.9 mtp -64.57 -34.77 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 170.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -65.07 -32.73 74.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.9 m -67.98 -47.17 69.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.79 24.72 61.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 165.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -54.43 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.712 ' HA3' ' OH ' ' A' ' 4' ' ' TYR . . . -174.07 161.7 32.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 174.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -149.95 146.82 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.891 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.1 tp -107.06 127.65 53.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.48 ' HB2' ' HA ' ' A' ' 113' ' ' LEU . 73.5 m -92.2 130.91 37.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -171.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.84 130.45 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' HB2' HD11 ' A' ' 113' ' ' LEU . 53.9 t80 -111.5 136.87 50.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.04 149.37 39.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.053 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.443 HG21 ' HB3' ' A' ' 120' ' ' LEU . 95.7 mt -69.3 -36.9 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -168.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.05 -29.96 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -80.75 100.03 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -171.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.4 m -61.24 -36.79 80.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.49 -20.59 64.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -174.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 m -55.98 -32.24 63.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -55.09 -44.26 74.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.75 -43.02 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.32 -38.53 91.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.5 mt -66.07 -40.51 87.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 177.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -58.38 -44.19 88.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.795 174.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 95' ' ' GLN . 17.3 mt-30 -62.18 -41.47 98.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 178.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -58.28 -42.64 87.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 176.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -63.61 -43.81 95.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.85 -37.52 87.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -67.53 -47.13 70.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.436 ' HA ' HG23 ' A' ' 103' ' ' VAL . 93.5 mt -59.97 -40.88 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 175.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 88.6 tttt -56.65 -39.23 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -176.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -70.75 -51.17 28.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 100' ' ' ILE . 32.5 m -74.93 -24.26 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -167.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.42 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 58.2 pttt -73.0 -17.33 61.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -172.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 42.57 44.54 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 173.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.1 p -155.43 -177.33 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 47.8 p30 -79.96 -176.43 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.897 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -65.64 139.95 58.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -174.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.403 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 34.8 m -117.41 156.51 48.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -176.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 42.1 Cg_endo -65.9 126.42 15.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.617 2.212 . . . . 0.0 112.372 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 66.5 mtm -135.03 135.02 41.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.64 137.13 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 172.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.507 ' HB2' HD13 ' A' ' 139' ' ' ILE . 59.3 tp -103.77 127.1 51.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.5 p -118.49 134.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.36 157.0 27.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.53 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 144' ' ' THR . 70.8 m-80 -106.1 157.78 17.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 -176.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -130.06 -51.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.4 m -86.83 6.26 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -170.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -86.46 -15.17 41.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.443 ' HB3' HG21 ' A' ' 84' ' ' ILE . 58.3 tp -153.53 130.52 11.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -177.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.42 77.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.91 104.34 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 172.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -118.13 159.79 22.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -170.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.3 t -80.16 -169.76 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.11 163.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -43.85 148.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -175.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.9 m -60.08 -38.72 83.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 -172.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.45 -42.81 98.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -70.85 -42.13 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.9 94.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -63.69 -45.4 90.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.986 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.82 -36.03 78.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.18 -45.02 95.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.97 -44.29 89.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -66.23 -37.71 86.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -175.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.0 p -68.11 -23.48 64.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -93.89 -2.14 53.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.24 13.07 27.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 163.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.507 HD13 ' HB2' ' A' ' 113' ' ' LEU . 22.9 pt -136.73 142.91 40.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 111.084 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.85 144.2 21.53 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.402 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -111.89 129.1 56.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.913 -173.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 87.2 mt -119.96 129.91 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.83 127.23 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 68.6 p -132.43 172.44 12.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.139 -174.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -130.94 99.88 5.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 165.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.42 -29.54 68.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -169.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -80.13 -31.81 39.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -169.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 60.7 p -105.87 -25.42 12.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -140.05 177.32 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -80.69 115.7 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 171.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.96 -75.05 0.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -172.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.67 -29.52 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.55 -47.37 82.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -67.72 -39.02 84.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.928 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.98 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.196 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -64.74 -40.48 95.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -60.2 -37.65 80.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 89.8 m -63.58 -41.47 98.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 170.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.17 -38.6 89.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 176.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.3 t -59.33 -45.0 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.88 -38.46 90.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -69.26 -37.5 77.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.51 -44.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.042 175.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -65.75 -32.76 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -62.13 -52.43 63.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 178.669 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -106.71 122.6 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.45 140.2 52.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -119.38 132.61 55.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -100.89 101.18 11.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.423 ' C ' HD21 ' A' ' 6' ' ' LEU . 7.3 tt -116.1 120.28 38.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -169.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -102.37 124.96 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.06 135.64 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.64 151.61 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 173.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.65 171.75 27.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -170.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.13 160.74 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -172.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.88 152.14 26.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.553 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.405 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -74.87 -16.77 80.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -101.22 16.73 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 111.159 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.86 -135.8 8.17 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.534 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -56.69 -28.56 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.6 t -63.29 -53.45 52.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.98 78.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.164 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.99 -41.28 99.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -69.11 -45.1 71.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.59 -43.79 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 -172.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -67.9 -28.7 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -73.67 -45.0 55.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.483 HG13 ' HG2' ' A' ' 25' ' ' GLN . 42.4 pt -78.47 -19.78 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -175.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.3 mm-40 -105.57 -22.52 12.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.99 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.8 m-20 68.16 14.91 9.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -175.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -139.93 150.77 44.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -83.06 120.33 25.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.3 t -112.45 124.64 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -174.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -83.07 -34.58 26.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -89.76 80.65 6.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.405 ' CZ ' ' HA3' ' A' ' 13' ' ' GLY . 44.7 p90 -79.74 179.11 7.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -173.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.485 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 2.8 p30 -63.78 158.59 59.87 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.636 0.731 . . . . 0.0 110.865 -172.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 36.4 Cg_endo -64.41 164.43 23.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 0.0 112.307 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.9 p -70.08 -5.21 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -176.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.7 mt -75.37 129.4 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 172.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -40.39 133.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -154.66 104.95 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.822 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.8 m -99.71 161.38 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -130.42 152.61 49.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -168.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.87 143.18 49.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 168.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -148.39 130.19 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -79.05 126.79 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.966 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.02 156.92 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -172.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.5 t -107.33 118.15 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -130.59 124.16 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 60.72 27.02 16.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -173.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.68 -0.03 89.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -104.25 128.71 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.858 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.3 m -86.95 127.49 35.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -149.98 170.37 19.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.2 tp -99.18 120.22 39.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.5 tp -105.44 118.95 37.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -97.41 113.05 24.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mm -100.22 114.96 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 -175.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.08 113.65 25.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -116.96 139.49 50.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.6 m -106.65 135.7 47.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.83 130.56 13.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 174.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.49 -25.44 24.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -107.31 146.05 32.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.972 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.5 -52.73 10.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -129.95 -30.32 2.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -68.9 128.17 35.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -169.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.5 t -155.85 123.28 5.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 165.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.49 85.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.8 mtp -80.4 -48.31 13.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -65.34 -41.45 93.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -170.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -63.08 -37.46 87.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -64.31 -43.3 95.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -65.62 -33.6 76.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.9 mmm -64.78 -36.52 84.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.75 -29.98 70.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.8 p -85.96 -30.94 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.483 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 70.89 28.91 69.85 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.431 171.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -60.5 -60.15 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 110.873 -173.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 151.88 23.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.416 ' HB3' ' HG2' ' A' ' 111' ' ' MET . 67.4 t80 -146.16 126.5 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -170.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 87.1 mt -111.21 131.88 54.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 170.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.5 t -109.76 114.5 28.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.2 t -103.33 131.6 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.408 ' HB3' HG21 ' A' ' 93' ' ' ILE . 28.4 p90 -136.92 164.09 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -99.52 134.81 41.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 177.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.93 -30.16 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -87.85 -14.4 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.466 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 41.9 t-20 -90.72 114.8 27.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.9 m -65.9 -44.48 85.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.0 -28.05 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.3 t -59.8 -36.25 76.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -65.34 -38.4 90.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 176.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.58 -35.38 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.24 -44.93 90.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.408 HG21 ' HB3' ' A' ' 82' ' ' PHE . 44.5 pt -71.02 -26.41 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 -177.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.52 -46.81 86.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.811 171.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HB2' HE21 ' A' ' 95' ' ' GLN . 15.9 mt-30 -66.1 -43.01 88.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -59.47 -40.99 88.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.1 tpt85 -53.77 -44.27 69.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.09 -36.88 64.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.544 ' O ' HG21 ' A' ' 103' ' ' VAL . 27.9 tt0 -67.97 -52.69 33.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -173.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.8 pt -64.64 -27.42 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.21 -174.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.22 -43.77 92.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.06 -35.66 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.876 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.544 HG21 ' O ' ' A' ' 99' ' ' GLN . 64.5 t -63.11 -38.92 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -173.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -74.56 -13.4 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.811 -173.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 45.39 43.96 8.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.0 t -156.16 -170.98 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -176.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -77.24 -179.12 5.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -66.92 116.27 7.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -177.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.483 HG11 ' HA3' ' A' ' 75' ' ' GLY . 33.7 m -107.59 159.86 28.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.608 0.718 . . . . 0.0 111.151 -178.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -54.98 124.01 15.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.277 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.416 ' HG2' ' HB3' ' A' ' 78' ' ' PHE . 65.9 mtt -133.38 150.69 51.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 175.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.435 ' HB ' ' CD2' ' A' ' 79' ' ' LEU . 84.3 t -132.79 136.16 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.197 173.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' A' ' 134' ' ' ALA . 51.5 tp -101.02 121.94 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.95 127.87 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 -169.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.65 138.97 14.16 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.507 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -98.44 169.96 9.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.379 . . . . 0.0 110.884 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 54.78 41.39 31.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 173.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.0 m -75.19 -7.0 52.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -94.66 2.12 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 173.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.9 tp -74.34 125.76 29.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.67 84.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -85.65 56.52 4.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 -101.49 90.65 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 174.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 42.4 p -82.5 57.78 3.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 90.5 t -139.46 128.23 28.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.252 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.67 125.44 26.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.0 p -62.91 -29.51 70.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.73 -38.07 89.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.838 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -69.61 -43.46 72.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.045 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -68.29 -48.18 65.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.93 -33.9 76.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.48 -44.07 92.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 139' ' ' ILE . . . -62.15 -39.84 93.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 172.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.65 -32.23 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.886 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.0 p -67.54 -20.64 65.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -99.36 -0.92 40.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.2 24.8 70.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.558 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 92.9 mt -124.73 131.35 24.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.697 . . . . 0.0 111.193 -172.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -65.83 151.01 85.44 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -112.23 127.44 55.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -172.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 39.7 mm -122.39 138.08 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -101.17 127.56 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.499 ' CB ' ' HA3' ' A' ' 151' ' ' GLY . 6.8 t -137.13 174.5 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.484 ' HB3' ' H ' ' A' ' 149' ' ' ARG . 14.0 t -145.15 129.8 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 170.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.54 -19.39 64.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 170.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -92.84 -61.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -168.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 72.7 p -133.41 -44.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.22 -166.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.484 ' H ' ' HB3' ' A' ' 145' ' ' SER . 72.2 ttt180 -90.16 133.06 35.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -169.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -84.99 126.87 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.499 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -137.64 -51.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 59.9 t -52.3 -36.53 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.32 . . . . 0.0 111.095 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.35 -42.84 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -68.1 -35.51 78.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 176.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -59.01 -45.64 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 173.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -65.16 -45.42 85.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.5 m -68.42 -47.26 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 68.5 tp -63.13 -49.48 74.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.02 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.401 ' HA ' HD13 ' A' ' 163' ' ' ILE . 52.8 t -64.47 -39.26 84.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -57.49 -43.74 84.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 173.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.04 -33.44 73.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 160' ' ' VAL . 81.1 mt -63.9 -44.54 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 55.4 tpt85 -74.28 -30.02 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -79.96 -60.02 2.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.979 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.74 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.5 m -98.9 117.46 33.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -128.38 138.3 52.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -119.96 123.48 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 175.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -95.73 100.29 12.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -111.82 128.49 56.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.956 -167.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -95.23 121.01 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -172.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -109.02 134.44 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.102 -175.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.4 t -128.0 141.97 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.16 166.71 36.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.65 149.75 49.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.193 -172.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.03 -179.74 41.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.04 1.42 84.86 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.87 3.93 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.932 0.396 . . . . 0.0 111.067 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.22 -139.56 10.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.455 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.3 -18.26 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.967 -178.506 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.8 m -58.14 -49.37 77.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.41 -41.21 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 63.2 mt -64.88 -42.78 94.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -171.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -67.29 -44.71 78.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.1 mt -69.0 -41.17 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.045 -174.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.6 pp0? -67.93 -27.23 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -171.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.4 HD23 ' HB ' ' A' ' 152' ' ' VAL . 64.9 tp -72.55 -47.93 44.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.977 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.526 HG13 ' HG2' ' A' ' 25' ' ' GLN . 45.2 pt -78.36 -19.52 13.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.072 -173.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.526 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.4 mm-40 -106.78 -24.28 12.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.9 m-20 68.98 17.66 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -174.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 79.9 m80 -138.26 150.13 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -83.87 117.17 23.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -177.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.4 t -123.38 126.82 73.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 -173.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -92.67 -18.82 22.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -88.6 87.84 7.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.79 146.31 54.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.557 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 39.2 p30 -64.27 171.38 2.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.482 0.658 . . . . 0.0 110.889 -175.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.557 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 83.1 Cg_exo -52.32 155.6 9.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.616 2.211 . . . . 0.0 112.325 -176.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.7 p -74.32 -4.17 34.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -170.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.08 128.01 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 172.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -49.92 109.96 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -139.84 101.65 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.1 m -99.61 161.74 13.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -132.61 158.22 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 -171.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.442 ' HG2' ' HA ' ' A' ' 54' ' ' ASP . 98.8 mtt180 -117.85 147.31 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -145.34 130.04 18.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -92.83 126.62 38.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -141.12 164.89 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.18 119.31 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.5 mt -129.8 129.47 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t0 65.06 24.81 12.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.96 -3.49 85.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.432 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.36 128.27 55.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.43 . . . . 0.0 110.913 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -72.21 127.32 32.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.2 p -144.71 162.72 36.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -106.23 122.02 45.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.6 mt -99.2 120.99 40.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 58.5 t0 -93.04 110.94 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 174.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.3 108.78 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -169.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.8 mt -97.77 106.56 18.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -172.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -99.84 154.3 18.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 m -99.07 132.75 44.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 172.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.47 143.44 31.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.091 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.66 -43.06 1.75 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -140.04 145.76 38.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.731 0.301 . . . . 0.0 110.902 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.86 -41.36 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -91.57 -33.44 15.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.829 -171.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -108.87 137.25 47.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.4 t -138.29 131.83 30.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 172.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.76 -42.05 86.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 63.7 mtt -84.88 -51.94 6.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -177.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -66.33 -44.68 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -167.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.87 -38.16 90.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 -175.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -70.84 -52.54 19.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -73.47 -29.86 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -171.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.5 tpt -53.17 -31.43 42.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 104' ' ' LYS . 98.5 mtt180 -69.29 -23.92 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.9 m -71.53 -44.02 65.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 171.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.69 31.42 36.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.505 164.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.61 -44.44 82.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.74 158.21 28.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.43 175.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' ' 111' ' ' MET . 74.1 t80 -137.95 129.46 27.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.941 0.401 . . . . 0.0 110.877 -174.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.1 tp -110.23 120.3 42.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.7 116.53 32.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -107.85 130.81 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.061 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -132.44 170.81 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -101.04 128.85 46.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.417 HG22 ' HA ' ' A' ' 123' ' ' ARG . 91.1 mt -75.77 -27.02 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 -175.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.512 ' HB3' HD21 ' A' ' 120' ' ' LEU . 17.0 p-10 -88.06 -21.27 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.589 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 7.3 t-20 -97.22 96.99 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 173.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.6 m -54.02 -37.77 64.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.46 -19.36 65.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -174.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.6 p -60.61 -24.81 65.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -173.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -64.02 -38.98 93.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 174.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.13 -36.7 83.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.62 -47.86 79.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.3 pt -71.19 -26.88 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -64.37 -53.23 51.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.857 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -67.78 -33.83 75.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -60.58 -50.08 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.46 -43.67 89.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.829 -176.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.21 -36.7 84.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -175.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.478 ' O ' HG21 ' A' ' 103' ' ' VAL . 17.6 tt0 -69.17 -46.16 68.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.97 172.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.81 -36.97 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.418 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 97.0 mttt -59.42 -39.3 83.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.31 -35.45 66.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.816 175.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 99' ' ' GLN . 67.7 t -67.45 -40.33 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -177.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.441 ' HG3' ' H ' ' A' ' 106' ' ' SER . 58.7 pttt -75.72 -24.81 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -170.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 45.27 42.65 7.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.441 ' H ' ' HG3' ' A' ' 104' ' ' LYS . 71.6 m -134.79 175.78 9.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -174.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -74.87 -179.88 4.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -66.06 117.21 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -172.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 85.7 t -88.24 132.53 39.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 111.104 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -62.26 126.76 19.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.432 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 25.2 ptp -137.92 159.05 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -170.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.4 p -131.04 137.53 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.144 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.0 tp -98.48 117.44 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 81.8 t -128.37 131.55 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.48 146.28 16.05 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -100.05 169.0 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 174.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 64.99 39.79 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.1 t -67.04 -31.85 72.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 170.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -82.5 0.53 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -175.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.512 HD21 ' HB3' ' A' ' 85' ' ' ASN . 60.7 tp -92.74 130.2 38.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 175.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.45 -30.76 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.05 77.05 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.417 ' HA ' HG22 ' A' ' 84' ' ' ILE . 99.8 mtt180 -90.15 79.98 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 173.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 52.6 p -85.05 64.88 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.2 t -136.27 131.09 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -76.91 110.92 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 92.9 p -62.87 -30.05 71.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -173.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.56 -39.5 94.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.819 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -73.92 -49.8 23.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.442 ' HB2' ' CE1' ' A' ' 141' ' ' TYR . . . -60.47 -43.52 96.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -67.62 -49.33 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.14 -33.56 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -176.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.62 -43.27 99.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 139' ' ' ILE . . . -69.05 -34.62 75.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -66.05 -33.49 75.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.9 p -64.92 -24.69 67.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.753 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.95 4.21 31.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.63 39.42 67.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 175.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 6.0 tp -138.45 133.68 17.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.554 0.692 . . . . 0.0 111.199 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.52 145.63 46.25 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 130' ' ' ALA . 48.5 t80 -91.93 126.42 37.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.95 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 84.9 mt -122.68 131.04 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -169.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -112.78 132.71 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 170.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 55.7 p -132.24 170.07 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -171.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -134.68 111.77 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 171.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.43 ' HB3' HD21 ' A' ' 19' ' ' LEU . . . -58.76 -25.16 62.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.8 -51.94 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -172.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.8 p -111.7 -24.5 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 -165.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -111.23 170.27 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -172.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.75 115.98 26.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.941 167.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.95 -74.97 0.98 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.553 -171.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.4 ' HB ' HD23 ' A' ' 23' ' ' LEU . 68.8 t -56.65 -44.47 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 111.11 -172.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.44 -48.23 82.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -69.14 -37.19 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.2 -45.82 83.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -69.98 -30.1 67.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -56.7 -47.9 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 173.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 87.9 m -66.54 -45.54 79.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 177.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.12 -52.3 63.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.006 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.1 -43.03 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -175.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.23 -40.44 94.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.4 -38.37 90.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.98 -39.96 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.197 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -67.98 -34.96 77.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.824 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -87.43 -49.99 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.777 -176.858 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.4 m -132.58 138.63 47.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -178.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -92.87 128.27 38.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -118.8 128.82 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.41 107.35 19.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 tp -103.66 125.27 50.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.482 HG22 ' HB3' ' A' ' 71' ' ' TYR . 98.7 t -112.17 121.25 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.149 171.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.0 126.03 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.12 163.28 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.95 -176.96 30.87 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 -176.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.7 123.34 12.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 111.102 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.3 141.7 30.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.591 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.64 15.52 56.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -95.31 -73.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.71 55.0 0.16 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -64.27 -30.02 71.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.5 m -65.2 -41.92 94.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.05 -36.64 85.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.06 -37.4 87.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 176.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.0 m -65.25 -44.81 86.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.41 ' HA ' HG22 ' A' ' 24' ' ' ILE . 92.3 mt -59.79 -39.05 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 178.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.528 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 7.5 tt0 -57.97 -33.77 69.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 HD22 HG12 ' A' ' 152' ' ' VAL . 90.7 mt -78.65 -54.47 6.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.666 HG23 ' HG2' ' A' ' 25' ' ' GLN . 9.7 tp -81.67 -33.37 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -165.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.666 ' HG2' HG23 ' A' ' 24' ' ' ILE . 99.0 mm-40 -107.32 -31.28 8.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 16.6 m120 77.62 26.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -126.53 164.71 20.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -114.95 104.84 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 177.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 p -148.32 144.23 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 -176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -79.33 75.0 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -124.98 75.03 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -72.72 142.32 48.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -170.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -93.77 154.15 40.98 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.546 0.688 . . . . 0.0 110.955 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.5 157.68 53.75 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.394 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.9 p -70.78 -7.34 44.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.776 -176.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -56.13 130.29 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -53.2 110.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -147.53 96.26 2.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.9 p -86.29 159.99 19.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -126.83 152.1 47.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -127.95 136.3 51.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -134.53 131.33 37.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -175.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -79.07 123.4 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.01 164.62 33.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.22 -173.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.09 124.99 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -124.12 120.73 60.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 56.97 29.96 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.01 0.22 89.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -106.31 130.06 54.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.023 0.439 . . . . 0.0 110.886 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -81.29 125.0 29.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.206 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.4 p -140.37 176.63 8.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 tp -104.81 126.63 52.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -176.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.7 tp -101.06 112.84 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 174.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -91.71 119.24 31.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.7 mt -101.61 114.94 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -168.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.443 ' HB3' ' HG2' ' A' ' 68' ' ' ARG . 73.8 mt -118.89 121.78 40.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 175.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -110.01 110.73 21.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m -97.72 132.59 43.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.12 130.91 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.39 -42.44 2.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 175.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -110.0 144.94 37.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.898 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -84.9 -46.49 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -131.73 -4.84 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -168.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -97.22 73.38 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -167.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 t -159.53 116.93 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.814 167.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.12 70.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.9 tpp -79.9 -46.41 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.443 ' HG2' ' HB3' ' A' ' 56' ' ' LEU . 72.5 mtt85 -99.0 -56.34 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.906 -168.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.03 -14.61 60.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -168.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -49.27 -25.04 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.916 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.482 ' HB3' HG22 ' A' ' 7' ' ' VAL . 14.6 p90 -48.18 -32.59 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -175.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.9 mtm -59.9 -33.62 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -66.93 -34.79 78.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.1 p -90.23 -30.37 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 -173.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.47 18.94 78.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.82 -49.98 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.7 161.72 10.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -155.03 151.7 28.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.3 tp -111.02 124.46 52.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.1 t -97.99 124.89 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -109.99 135.03 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 -174.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -109.74 135.49 50.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.582 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -87.96 122.41 31.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 176.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.468 ' HB ' ' O ' ' A' ' 116' ' ' ASN . 6.5 tp -67.34 -26.49 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 -169.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -103.22 -16.68 15.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -173.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.582 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 41.7 t-20 -88.13 115.32 25.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.9 m -67.54 -42.4 82.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.85 -21.0 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -175.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.4 t -51.84 -35.63 45.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -58.66 -45.4 89.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.77 -42.97 69.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -64.68 -39.09 93.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.767 -177.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.8 mt -66.64 -42.23 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -57.48 -47.25 82.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HB2' HE21 ' A' ' 95' ' ' GLN . 17.7 mt-30 -65.16 -47.57 76.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -177.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -65.3 -41.16 94.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -64.79 -40.1 94.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.44 -43.45 98.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -68.85 -47.57 65.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.51 -41.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 175.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.04 -44.3 96.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -178.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.86 -40.02 87.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.0 t -69.95 -40.27 78.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.1 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -97.52 11.15 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -45.72 -37.53 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.6 m -118.75 74.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 172.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -167.51 157.32 10.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -107.4 82.67 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.8 t -118.18 124.09 28.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.132 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.428 ' HG3' ' HA ' ' A' ' 163' ' ' ILE . 66.3 Cg_endo -73.84 136.4 22.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.656 2.238 . . . . 0.0 112.391 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.8 ttt -144.78 140.0 28.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.8 t -132.25 137.45 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.198 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 134' ' ' ALA . 62.6 tp -103.99 121.66 43.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 175.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.04 134.19 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.91 143.46 16.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.54 177.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.468 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 52.3 p30 -93.63 164.29 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -177.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 116' ' ' ASN . 56.7 mtpt 38.42 49.94 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.491 ' SG ' ' HG3' ' A' ' 143' ' ' GLU . 85.5 m -74.98 -6.9 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -177.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -97.57 5.03 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 176.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 tp -74.62 120.27 19.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.811 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.5 87.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.06 94.32 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HB2' HG13 ' A' ' 84' ' ' ILE . 35.9 ptt-85 -146.68 166.42 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -173.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.3 t -84.99 -165.59 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 70.8 t -40.88 141.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -175.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 7.5 tp10 -50.91 153.4 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -163.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.2 p -64.0 -20.86 66.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.423 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.7 mtt180 -60.6 -29.98 69.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.44 -42.38 98.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.21 86.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -65.03 -47.11 78.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.14 -37.32 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.73 -41.3 92.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.472 ' HB3' HD21 ' A' ' 113' ' ' LEU . . . -58.54 -38.22 77.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 175.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.39 -39.85 94.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.6 p -73.29 -22.03 60.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -89.81 -3.7 58.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.76 24.81 71.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 48.7 pt -134.7 156.7 78.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 111.109 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.54 153.04 60.39 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.622 2.214 . . . . 0.0 112.296 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -117.44 130.93 56.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.446 HG22 HG21 ' A' ' 144' ' ' THR . 40.9 mm -114.23 132.83 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 176.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.491 ' HG3' ' SG ' ' A' ' 118' ' ' CYS . 80.1 tt0 -118.56 109.98 16.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -175.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.446 HG21 HG22 ' A' ' 142' ' ' ILE . 71.7 p -137.92 179.48 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -175.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.5 t -127.03 108.85 11.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.436 ' H ' ' H ' ' A' ' 117' ' ' LYS . . . -65.14 -28.73 69.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 -176.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -75.78 -41.35 53.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -173.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 78.8 p -106.96 -21.14 13.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 -168.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -139.39 176.14 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -175.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -87.58 115.09 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 171.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.95 -63.55 0.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.411 HG12 HD22 ' A' ' 23' ' ' LEU . 54.4 t -58.91 -38.57 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 -175.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -55.44 -46.04 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.8 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.28 -37.93 81.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.832 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.18 86.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -63.15 -41.58 99.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -60.05 -39.62 86.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.1 m -65.09 -43.01 93.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.209 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.56 -41.46 90.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.438 ' HA ' HD13 ' A' ' 163' ' ' ILE . 49.4 t -63.75 -39.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.71 -35.86 77.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 173.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -71.45 -34.8 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 174.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 160' ' ' VAL . 85.9 mt -64.18 -40.12 87.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.114 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.5 -25.08 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -78.8 -59.9 2.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.048 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.7 m -119.33 135.41 54.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -97.56 130.97 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -113.42 133.14 55.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -100.09 102.15 13.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 tt -112.88 120.49 41.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -172.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.1 t -102.1 132.75 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 -175.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -93.19 125.32 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.7 m -133.04 164.71 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 -177.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.54 179.61 19.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.94 144.94 34.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.95 177.39 52.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.544 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.07 -26.44 6.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.4 t -95.0 -78.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.05 70.47 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 172.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -60.65 -45.81 92.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -66.8 -39.64 87.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . . . -61.1 -37.37 82.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.75 -43.99 91.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.7 p -72.38 -34.39 67.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -70.94 -43.58 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.059 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -77.18 -34.47 56.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -175.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.43 -42.2 92.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -174.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 tp -66.73 -20.0 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 58.6 mt-30 -100.58 -9.18 22.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.1 m-20 65.04 35.81 7.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -176.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -134.93 -171.34 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.809 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -112.02 130.0 56.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.26 114.25 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 174.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -75.03 -65.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -85.1 105.59 15.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.541 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 53.2 p90 -66.76 158.37 30.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -178.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -73.34 149.37 89.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.56 0.695 . . . . 0.0 110.869 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.463 ' O ' ' HB3' ' A' ' 35' ' ' SER . 37.7 Cg_endo -65.03 160.76 40.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.593 2.195 . . . . 0.0 112.35 176.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 34' ' ' PRO . 8.3 t 75.01 168.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -173.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.454 ' HB ' ' HB1' ' A' ' 59' ' ' ALA . 44.2 pt -109.18 173.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -167.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.478 ' OE1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER 53.52 72.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 178.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -110.07 45.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -107.53 164.88 11.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.05 167.78 20.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -170.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -115.01 135.98 53.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 169.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -140.13 138.26 35.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -175.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -78.61 124.95 28.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.53 160.02 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -173.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.06 118.38 48.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 174.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.8 mt -128.41 124.99 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 59.61 27.61 16.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -173.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.11 0.49 89.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -110.0 134.93 51.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -83.01 125.04 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -148.27 175.08 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.76 128.68 52.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.8 tp -110.73 109.82 20.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -106.09 112.65 25.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.5 mm -97.18 130.04 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -173.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 56' ' ' LEU . 3.4 mm? -104.77 112.17 25.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 177.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -97.18 123.45 40.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 172.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 t -105.54 150.07 25.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 175.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB1' ' HB ' ' A' ' 36' ' ' ILE . . . -165.51 146.91 7.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 -178.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.44 -38.17 3.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.429 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -115.01 171.12 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.902 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.21 -52.31 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -145.55 -15.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 169.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -58.37 114.49 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -176.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.6 m -139.03 140.31 38.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -175.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.91 -59.49 2.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.7 mtp -81.29 -43.76 18.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.486 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -68.48 -38.46 81.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -165.041 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.8 -35.13 75.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -61.13 -45.08 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -69.61 -34.95 74.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.8 mmm -66.39 -35.03 79.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.482 ' HA ' ' HD3' ' A' ' 104' ' ' LYS . 99.6 mtt180 -67.8 -32.07 72.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 176.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.5 m -72.77 -40.06 66.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 174.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.442 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 82.11 21.47 60.86 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.439 178.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.86 -51.29 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.918 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.98 145.32 4.36 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.444 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -155.03 150.0 26.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.961 0.41 . . . . 0.0 110.849 -175.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.447 ' C ' HD21 ' A' ' 79' ' ' LEU . 9.1 tt -102.21 119.88 39.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.23 122.83 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.26 125.25 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.457 ' HB2' HD11 ' A' ' 113' ' ' LEU . 44.6 t80 -122.76 132.81 54.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.848 -177.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.14 135.74 33.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 173.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.8 mm -77.54 -34.82 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -167.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -90.07 -18.0 26.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -177.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -90.59 102.59 15.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.1 m -59.8 -38.65 82.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.39 -25.03 67.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -177.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.7 t -59.88 -42.42 93.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -65.92 -42.96 89.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.68 -41.58 99.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.0 -38.74 92.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.98 -42.56 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 178.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -58.22 -45.18 88.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -62.22 -47.58 83.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -61.87 -46.48 89.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -178.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -62.54 -53.47 54.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -176.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -67.84 -39.71 83.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.53 -52.34 40.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -176.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.24 -42.09 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.14 -43.29 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.61 -36.27 76.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.76 -42.93 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.482 ' HD3' ' HA ' ' A' ' 73' ' ' ARG . 62.6 pttt -89.1 -3.6 58.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 51.86 46.68 26.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 173.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.7 m -129.72 169.97 14.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -174.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -82.77 -174.95 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -178.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -67.3 140.0 57.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.442 HG11 ' HA3' ' A' ' 75' ' ' GLY . 35.3 m -121.5 161.83 39.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.657 0.741 . . . . 0.0 111.137 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 90.0 Cg_exo -49.17 124.39 11.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.1 ttt -150.32 140.11 21.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -176.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.58 133.38 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 82' ' ' PHE . 35.2 tp -97.78 124.45 42.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.3 t -117.93 123.33 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.74 155.08 16.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -100.05 175.48 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 62.73 65.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 173.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.3 p -70.02 -15.99 63.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -86.29 -9.96 55.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.789 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.546 HD23 ' HD3' ' A' ' 123' ' ' ARG . 80.9 mt 55.01 41.48 31.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 175.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.8 -60.92 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -177.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -96.12 65.18 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.6 ' O ' ' NE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -169.24 159.88 9.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.449 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.2 p -123.87 32.27 5.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.88 130.03 75.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.045 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -80.15 154.45 28.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -175.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.5 m -61.3 -38.24 86.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.2 -37.19 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -69.04 -43.88 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.02 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.04 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.062 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -65.52 -45.53 83.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -64.45 -30.74 71.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 133' ' ' LEU . 0.1 OUTLIER -64.31 -40.04 95.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 174.026 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.408 ' HB3' HD21 ' A' ' 113' ' ' LEU . . . -65.17 -36.45 84.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 171.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -63.32 -33.01 74.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.2 m -63.77 -27.22 69.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 176.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.521 ' HB2' HG12 ' A' ' 139' ' ' ILE . 18.1 m-30 -91.06 -9.0 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 178.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.89 28.99 61.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.521 HG12 ' HB2' ' A' ' 137' ' ' TYR . 36.2 pt -132.01 158.75 74.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.749 0.785 . . . . 0.0 111.005 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.422 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.3 Cg_endo -73.04 154.85 52.8 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 178.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -119.62 128.69 54.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -121.36 124.74 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.067 173.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -107.57 126.73 52.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -146.59 177.28 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.6 t -111.68 122.6 48.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.82 -28.88 62.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -95.05 -55.73 2.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 58.0 p -97.63 -10.57 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -159.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -136.02 154.32 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -101.63 103.18 13.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 171.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.95 -22.84 3.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 177.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.87 -44.0 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 111.103 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.62 -43.4 93.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.0 -39.07 92.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.99 89.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -59.86 -45.56 92.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 175.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -65.63 -36.78 84.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 82.2 m -63.52 -42.74 98.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.18 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.32 -39.74 94.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.73 -40.02 87.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.1 -40.08 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -65.05 -34.7 79.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.7 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 171.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -64.96 -27.55 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -85.88 -48.01 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 79.2 m80 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -177.203 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.0 m -97.78 116.04 29.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -129.29 136.51 50.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -117.34 120.97 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -103.07 104.73 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -172.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.3 mt -115.62 131.62 56.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.475 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 86.5 t -96.53 135.14 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -175.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.52 122.31 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.94 164.88 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 170.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.41 -160.64 30.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 89' ' ' SER . . . -57.74 133.3 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 111.093 -177.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.84 98.22 2.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.14 -14.62 5.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.3 t -66.27 -67.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 111.123 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.95 67.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.527 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -66.42 -34.88 78.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.918 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 t -68.79 -42.16 77.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.79 89.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 92.7 mt -67.64 -32.57 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.938 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -69.9 -38.77 76.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.94 -43.53 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.2 pp0? -68.48 -22.33 64.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -174.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.07 -46.6 73.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.609 HG13 ' HG2' ' A' ' 25' ' ' GLN . 50.6 pt -86.28 -20.81 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.609 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.1 mm-40 -106.83 -20.8 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -177.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.2 m-20 64.89 35.09 8.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -174.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -156.9 139.82 15.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -89.67 126.85 35.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.23 165.74 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -96.69 -28.96 14.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.11 136.97 58.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -109.44 149.39 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -83.48 140.98 41.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.69 0.757 . . . . 0.0 110.825 -178.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -68.06 161.64 43.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 173.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 m -50.56 -36.02 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -74.41 125.09 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 57.01 52.42 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.539 ' OD2' ' HB3' ' A' ' 59' ' ' ALA . 24.5 p-10 -90.02 -47.43 7.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.3 m -77.24 147.39 36.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -133.62 155.06 50.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -119.4 143.76 47.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -142.52 129.8 21.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -79.42 122.18 26.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.92 160.04 23.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.62 116.74 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 172.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.7 mt -129.39 130.02 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t0 66.84 21.61 10.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.35 -4.94 82.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -109.59 129.9 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 110.954 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.8 m -70.44 129.27 38.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -151.8 173.95 14.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.0 tp -103.82 123.34 46.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.012 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.4 tp -101.83 116.3 32.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -101.95 115.83 31.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -103.06 114.98 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 56' ' ' LEU . 3.0 mm? -94.96 114.95 26.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -171.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -97.42 142.85 28.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.427 HG23 ' HB2' ' A' ' 68' ' ' ARG . 71.4 p -76.18 151.66 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.539 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . . . -140.07 143.0 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -173.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.89 -113.91 4.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -97.16 161.03 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.31 . . . . 0.0 110.908 -177.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -70.52 -43.32 69.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.18 -18.88 26.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -175.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -122.4 83.31 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -153.45 120.25 5.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.28 -31.04 71.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 38.3 mmt -65.06 -35.07 79.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -175.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HB2' HG23 ' A' ' 58' ' ' THR . 69.4 ttp85 -89.76 -48.94 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 173.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.09 -45.79 83.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -166.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -71.84 -49.0 42.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -75.74 -38.64 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.019 -169.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.4 tpp -64.75 -32.9 74.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.851 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -63.46 -32.66 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.7 m -70.47 -40.98 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.89 25.88 61.51 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 173.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.48 -36.52 81.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.6 156.21 8.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 173.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -155.63 150.01 25.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.2 tp -109.24 134.28 51.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.7 m -103.57 115.55 30.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.6 m -117.62 142.07 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -144.34 165.66 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.22 130.3 37.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.47 HG22 ' HB2' ' A' ' 117' ' ' LYS . 9.0 tp -73.7 -20.32 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -175.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -93.74 -14.26 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -93.92 117.27 29.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -65.85 -39.99 91.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.01 -20.19 60.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -171.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.485 ' HB2' ' HB3' ' A' ' 11' ' ' ALA . 91.6 p -61.67 -26.55 68.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -173.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -62.77 -38.28 89.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.32 -39.48 92.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -59.33 -46.87 87.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.9 mt -69.63 -37.63 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -56.09 -40.26 73.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -65.61 -45.55 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -59.29 -49.03 79.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -45.56 74.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -173.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.8 -38.85 80.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -68.97 -48.04 64.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.42 -37.53 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -52.47 -42.6 64.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.9 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.93 -35.85 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -97.15 14.75 24.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -170.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -46.69 -34.84 5.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.1 m -128.41 75.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 171.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -165.06 155.96 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -110.53 100.2 9.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.88 128.2 17.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 111.133 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.99 140.09 19.88 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.744 2.296 . . . . 0.0 112.317 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.9 mtt -133.17 143.1 48.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.2 t -138.87 135.63 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 173.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 134' ' ' ALA . 54.2 tp -100.48 121.72 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 176.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.7 t -119.75 127.87 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.148 -174.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.86 135.99 12.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.453 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -92.57 179.36 5.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 0.0 110.959 -168.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.47 ' HB2' HG22 ' A' ' 84' ' ' ILE . 74.3 mttt 50.34 40.23 22.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 170.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.0 m -74.66 -5.01 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -93.72 -8.6 40.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 172.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.9 tp -91.23 122.32 33.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.91 89.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.0 93.35 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -152.58 172.49 16.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.4 p -71.75 -175.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 54.8 t -45.59 145.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -43.69 149.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -170.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 94.6 p -64.87 -10.67 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -58.92 -33.87 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.449 ' HB3' HE21 ' A' ' 129' ' ' GLN . 2.6 tt0 -69.91 -35.13 74.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.3 80.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -64.12 -46.12 85.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.0 -39.39 92.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 79.2 mt -65.57 -41.41 92.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.009 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.437 ' HB3' HD21 ' A' ' 113' ' ' LEU . . . -63.68 -39.88 95.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 175.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.23 -36.25 82.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 81.1 p -65.24 -24.57 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -103.64 5.09 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.93 27.43 66.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 170.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.04 153.86 78.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 111.156 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.11 154.9 42.29 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.242 . . . . 0.0 112.317 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -117.72 129.99 56.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 44.5 mm -118.08 138.55 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -97.72 131.0 44.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.704 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 5.8 t -135.05 169.27 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.433 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 36.7 t -161.25 141.89 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.28 -24.2 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 169.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.447 ' HG2' HG21 ' A' ' 148' ' ' THR . 88.6 tttt -76.85 -68.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -171.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.447 HG21 ' HG2' ' A' ' 147' ' ' LYS . 40.4 p -138.03 -44.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.433 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 15.4 tpt180 -57.84 120.03 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -171.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -90.39 116.17 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.704 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -130.33 -55.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.544 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.453 HG21 HG22 ' A' ' 144' ' ' THR . 59.4 t -55.01 -49.58 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.798 0.333 . . . . 0.0 111.05 -172.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.23 -46.48 90.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.99 -34.64 78.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.6 -41.06 93.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -65.06 -38.59 91.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -63.97 -39.3 93.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 82.4 m -62.74 -42.11 99.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.01 -42.63 94.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.66 -43.95 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -65.04 -34.95 79.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.07 -37.91 89.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.1 -40.63 89.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -65.87 -31.71 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . 0.434 ' HB2' HE21 ' A' ' 165' ' ' GLN . 14.0 mt-30 -80.91 -43.72 19.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 24.8 m170 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -177.741 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.87 0.367 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -96.92 117.67 31.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -132.59 138.17 47.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -117.18 112.83 21.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 92.5 mttt -98.57 102.87 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -115.29 126.77 54.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.011 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.411 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 90.5 t -95.95 125.0 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.6 t -95.32 124.36 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.65 159.98 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.44 -168.49 41.61 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 89' ' ' SER . . . -77.5 145.0 37.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.047 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.72 142.15 36.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.07 10.63 74.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.4 t -97.47 -69.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.03 65.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.68 -49.29 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.706 0.288 . . . . 0.0 110.803 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m -78.31 -34.06 48.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.914 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.95 87.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -167.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.32 -34.27 75.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.5 p -76.01 -37.27 58.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.1 mt -70.68 -42.09 77.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -67.57 -23.64 65.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.6 tp -67.43 -47.25 70.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.594 HG13 ' HG2' ' A' ' 25' ' ' GLN . 46.7 pt -86.83 -19.96 7.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -173.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.594 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.8 mm-40 -107.12 -22.43 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -176.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.2 m-20 64.95 35.07 8.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -172.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -154.93 138.49 15.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -89.34 130.14 35.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.84 164.04 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -102.98 -19.62 14.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -69.87 121.08 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -172.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -84.68 138.89 32.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -64.9 136.82 96.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.692 0.758 . . . . 0.0 110.864 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.72 152.75 64.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.619 2.213 . . . . 0.0 112.315 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.8 m -53.69 -39.69 65.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 -178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.3 mt -74.93 123.22 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 55.02 46.63 23.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -72.34 -24.21 61.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 m -110.01 149.94 29.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -149.27 161.4 42.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.929 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -121.53 145.86 47.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.81 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -142.19 129.91 21.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -78.79 123.35 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.88 159.64 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 -174.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.0 t -108.76 120.6 60.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 171.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.0 mt -124.95 124.24 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 59.01 29.28 18.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.79 -3.24 87.29 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -106.3 130.0 54.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -81.23 130.02 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -150.05 170.81 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -105.56 119.71 39.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.997 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.9 tp -97.34 116.06 28.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.951 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.486 ' HB3' ' HA ' ' A' ' 5' ' ' LYS . 67.6 t0 -100.35 114.39 27.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.6 mm -96.43 114.71 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.411 ' HB2' ' HA ' ' A' ' 7' ' ' VAL . 71.5 mt -106.29 124.26 49.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -172.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -114.07 166.55 11.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.7 m -91.75 139.11 30.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.15 137.23 52.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.04 -106.51 2.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.455 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . 99.6 mm-40 -82.22 168.73 17.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -175.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.93 -43.24 72.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -172.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -129.95 13.55 5.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.455 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 78.1 m-85 -124.54 86.27 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -137.84 116.73 12.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.41 -34.87 77.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.089 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mtp -70.7 -45.0 65.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -175.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -85.83 -43.7 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.946 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.34 -30.69 71.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -174.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -59.35 -45.2 92.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -74.84 -33.9 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.5 tpp -62.13 -29.2 70.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -56.58 -32.56 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.7 m -75.04 -44.21 49.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.55 28.59 47.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -64.09 -30.92 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.414 . . . . 0.0 110.911 -176.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.91 153.9 6.68 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.414 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.7 150.23 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.1 tp -107.69 131.96 53.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.948 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.8 m -100.24 115.35 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -114.95 133.61 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.426 ' HB2' ' HB3' ' A' ' 89' ' ' SER . 37.2 p90 -134.52 160.03 39.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -92.44 135.46 34.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 174.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.5 tp -66.08 -24.85 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 -173.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -98.28 -20.03 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.471 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 10.7 t-20 -94.74 98.08 10.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.5 m -60.06 -33.79 72.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.49 -24.28 67.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.865 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 66.8 m -57.05 -35.19 69.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.851 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -64.49 -37.22 86.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.66 -41.21 92.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.98 -43.22 99.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.6 mt -67.52 -38.76 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -55.78 -43.15 76.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -65.0 -42.33 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -56.7 -45.74 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -61.26 -48.88 79.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.962 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.79 -37.17 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.3 -51.33 64.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.06 -36.18 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 105' ' ' ASP . 86.7 tttt -53.92 -37.28 63.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -54.99 -46.9 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.5 t -76.5 -37.91 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.53 16.9 25.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -169.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' LYS . 38.8 t70 -41.46 -40.15 1.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.2 m -118.98 77.96 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -166.4 157.64 13.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.809 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -101.62 103.63 14.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.0 t -119.12 116.22 34.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.597 0.713 . . . . 0.0 111.098 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -54.59 126.21 21.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 112.371 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.426 ' O ' ' HD2' ' A' ' 140' ' ' PRO . 91.1 mtp -136.64 142.49 43.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 87.1 t -139.82 136.96 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 170.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.4 tp -98.06 119.85 37.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 84.0 t -118.19 127.09 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -173.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.04 135.08 12.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.338 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -90.69 -179.38 5.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 -172.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 56.75 65.09 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.493 ' SG ' ' HB3' ' A' ' 143' ' ' GLU . 88.0 m -90.98 -14.97 30.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -94.79 -9.4 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -104.81 143.92 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.2 -43.13 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -55.93 120.97 8.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -164.95 161.85 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -175.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.1 t -84.98 -165.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 169.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.4 t -42.13 141.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -48.56 151.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -164.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.2 p -64.83 -19.1 65.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.42 -35.67 79.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -34.92 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 174.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.88 85.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -63.64 -45.66 89.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 173.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.87 -34.99 75.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.18 -40.98 95.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 174.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.54 79.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 173.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -64.88 -38.62 91.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 70.0 p -70.36 -22.72 62.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -89.42 -8.84 52.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.32 26.28 64.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.6 pt -132.87 153.68 81.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 0.0 111.206 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 111' ' ' MET . 27.9 Cg_exo -63.68 153.35 75.75 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.747 2.298 . . . . 0.0 112.328 176.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -118.02 126.81 53.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 41.5 mm -121.69 136.57 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.226 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.493 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 98.6 mt-10 -104.03 132.41 50.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 6.6 t -142.46 167.84 21.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 118' ' ' CYS . 47.0 t -137.78 137.84 38.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.82 -22.8 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.1 170.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -77.49 -69.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -171.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.9 p -139.78 -44.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 110.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -171.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -80.06 120.06 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 143' ' ' GLU . . . -130.62 -51.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.8 p -55.34 -28.09 21.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -170.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -53.6 -43.68 68.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.14 -34.9 78.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.65 98.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.032 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -65.02 -37.9 89.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -64.82 -37.51 87.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 90.3 m -63.78 -42.8 97.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.187 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.0 -46.34 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 20.3 m -72.39 -27.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.67 -41.3 96.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 173.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.3 -42.42 93.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.98 -39.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -64.87 -43.93 91.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -83.16 -34.9 25.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -171.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 176.687 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -100.03 124.07 44.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -108.41 133.82 52.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -110.33 134.65 52.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -99.35 102.08 13.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 tt -114.87 119.66 37.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.77 128.56 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.3 t -96.53 124.28 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.57 163.08 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.3 -165.12 28.66 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.52 122.11 12.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.119 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.24 159.49 35.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.526 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 1.46 88.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.7 t -95.01 -77.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.087 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.49 54.65 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -67.37 -36.38 81.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.319 . . . . 0.0 110.891 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.9 t -63.87 -42.78 97.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 174.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.25 97.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 89.4 mt -66.18 -37.28 85.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.5 m -67.38 -44.21 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.33 -39.9 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 3.8 pp0? -69.43 -20.98 63.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -172.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.4 tp -70.43 -50.79 34.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.622 HG13 ' HG2' ' A' ' 25' ' ' GLN . 46.0 pt -81.24 -19.92 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 -171.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.622 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.8 mm-40 -110.5 -18.96 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -177.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 95.7 m-20 64.98 28.86 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -155.97 139.43 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -83.06 122.27 28.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.9 124.67 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 -177.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.27 -34.13 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -55.07 130.72 42.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -92.33 143.67 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.953 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -76.0 139.95 69.79 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.703 0.763 . . . . 0.0 110.827 -176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.33 156.22 62.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.237 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.9 t -53.72 -38.73 64.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -75.09 125.07 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 57.48 46.34 18.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -79.13 -15.3 58.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -113.67 149.16 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -172.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -136.99 152.97 50.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -174.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -124.7 147.15 48.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HB2' HG22 ' A' ' 24' ' ' ILE . 51.2 tptt -148.08 138.29 22.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -176.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -78.36 124.91 28.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.68 160.03 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.09 116.52 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -130.96 126.51 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.2 t0 65.22 25.03 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -174.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.76 -3.43 85.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -111.62 135.8 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.918 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.6 m -79.16 129.93 34.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.9 p -148.92 173.8 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.6 tp -104.44 120.91 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.975 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.2 tp -106.26 115.87 30.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -100.07 111.86 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.0 119.47 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.291 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.9 mt -106.23 128.38 53.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -166.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -107.4 163.44 13.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.5 m -70.8 135.13 47.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.8 139.15 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.55 -101.81 2.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.418 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . 97.6 mm-40 -90.12 -177.75 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.83 -175.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.08 -43.01 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -128.27 -4.98 5.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 89.0 m-85 -109.47 104.61 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.6 t -140.61 120.21 13.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.71 86.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 65.4 ttp -69.95 -58.56 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -69.68 -44.6 70.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -167.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.67 -33.64 76.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.35 -43.84 98.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -65.98 -36.88 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.1 -35.03 79.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.62 -33.04 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.6 m -69.97 -40.96 75.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.27 25.46 63.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 172.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.0 -36.86 80.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.819 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.56 146.23 4.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -149.19 150.0 31.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -106.32 129.02 54.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.8 t -97.5 118.16 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -109.7 131.74 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.119 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.428 ' HB3' HG21 ' A' ' 93' ' ' ILE . 32.3 p90 -131.02 163.81 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 177.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.631 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -94.0 133.05 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.561 HG13 ' HB2' ' A' ' 123' ' ' ARG . 9.7 tp -74.7 -22.84 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.118 -171.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -100.41 -17.04 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.631 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 44.3 t-20 -88.94 116.29 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 -176.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.4 m -68.75 -44.34 73.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.081 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.42 -27.29 67.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.913 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.3 t -59.19 -38.99 81.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -63.89 -42.6 97.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.39 -37.42 85.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.86 -47.69 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 82' ' ' PHE . 50.3 pt -72.41 -25.97 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -175.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -61.66 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -71.55 -46.82 58.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -64.31 -48.63 74.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -172.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -67.44 -40.01 85.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -173.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -67.83 -43.16 80.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -63.63 -47.58 80.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.929 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.15 -43.05 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 105' ' ' ASP . 88.2 tttt -59.59 -44.31 93.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -64.99 -40.56 95.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -176.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.8 t -69.61 -40.11 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -102.46 10.02 39.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -173.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 101' ' ' LYS . 38.8 t70 -46.64 -47.92 20.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -176.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.1 m -85.03 61.99 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -169.44 160.04 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -95.76 86.35 4.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.65 108.09 49.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 -176.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -59.04 129.55 32.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 58.0 mtt -134.4 139.35 45.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.1 t -135.74 140.44 44.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.178 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 37.8 tp -109.31 127.77 54.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.503 HG12 ' HB ' ' A' ' 142' ' ' ILE . 28.1 m -130.05 143.46 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.72 151.6 18.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 172.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -91.79 178.93 5.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -171.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 54.97 44.83 27.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 170.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.5 m -89.86 11.32 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -103.61 -12.31 17.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 165.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.5 mt -103.18 150.59 23.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.26 36.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.09 115.68 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.078 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.561 ' HB2' HG13 ' A' ' 84' ' ' ILE . 30.8 ptt-85 -167.1 175.54 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 -177.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.8 t -82.04 -166.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 173.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 53.5 t -44.12 147.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.21 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -43.74 149.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -168.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.9 p -63.69 -12.77 37.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 -174.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -58.27 -33.11 69.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -69.02 -37.41 78.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.031 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.39 90.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -58.22 -49.44 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 170.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.32 -36.52 80.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.19 -33.75 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.42 ' HB2' HG13 ' A' ' 139' ' ' ILE . . . -68.46 -39.82 81.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 169.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -69.13 -28.57 66.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.6 p -65.42 -28.03 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -105.4 0.7 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.16 38.68 17.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.497 169.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.42 HG13 ' HB2' ' A' ' 134' ' ' ALA . 43.4 pt -125.35 156.52 70.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.48 150.77 52.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -118.37 126.39 52.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.503 ' HB ' HG12 ' A' ' 114' ' ' VAL . 40.8 mm -121.64 138.41 52.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.14 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -91.29 131.62 36.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 10.6 t -141.31 163.35 33.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -143.29 140.08 30.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.92 -14.98 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -80.05 -69.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 50.4 p -138.91 -44.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -55.53 120.1 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -167.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -90.03 102.78 15.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.32 -27.06 2.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.541 170.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.29 -45.15 96.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.95 -44.84 96.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.0 -36.68 85.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.32 95.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -60.16 -42.96 96.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -64.72 -39.06 93.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.6 m -63.97 -43.22 96.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.57 -42.45 99.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.51 -39.9 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.58 -37.52 86.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.805 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -65.99 -35.39 80.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.99 -40.0 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 170.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -64.94 -30.39 71.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -85.33 -48.88 8.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -174.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.6 m -98.56 119.35 37.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -122.59 137.56 54.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -114.62 127.56 55.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -100.54 100.4 11.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.918 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.405 HD11 HD13 ' A' ' 159' ' ' LEU . 64.8 tp -113.03 122.7 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -175.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.7 t -100.58 127.44 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -91.2 124.1 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.99 161.59 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.33 -167.58 38.31 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.45 144.99 43.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 111.076 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.98 140.71 30.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.58 22.32 53.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.456 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.566 HG23 ' HB3' ' A' ' 83' ' ' ALA . 92.0 t -96.4 -71.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.082 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.59 54.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -72.48 -42.43 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.827 -168.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -68.68 -40.29 80.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.903 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.81 97.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 95.8 mt -65.61 -34.49 78.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.3 m -67.66 -42.56 82.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.158 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.36 -41.91 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.9 pp0? -66.95 -28.23 68.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -174.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.8 tp -74.88 -46.43 36.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.655 HG13 ' HG2' ' A' ' 25' ' ' GLN . 40.6 pt -82.07 -21.53 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 -171.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.655 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.6 mm-40 -112.45 -11.47 13.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.5 m-20 65.03 24.09 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -175.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -164.99 142.25 6.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -176.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -80.49 128.27 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.0 t -111.05 128.73 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -58.35 -43.68 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.9 108.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -82.04 120.16 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.979 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.66 140.03 86.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.66 0.743 . . . . 0.0 110.846 -172.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.1 165.45 32.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.611 2.207 . . . . 0.0 112.33 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.0 p -65.0 -14.83 61.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -78.17 123.97 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 172.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 54.8 49.14 18.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -90.0 -49.25 6.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -66.5 146.77 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.78 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -147.76 142.16 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.95 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -116.38 130.21 56.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.827 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -143.22 139.31 30.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.969 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -82.19 125.89 31.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.06 159.92 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -174.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.0 t -102.6 115.02 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -133.8 129.76 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t0 68.28 23.89 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.79 -4.12 80.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.433 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -112.16 136.93 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.978 0.418 . . . . 0.0 110.925 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.0 m -78.59 129.01 34.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.3 p -148.09 170.32 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -177.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.8 tp -104.99 118.49 36.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.993 -178.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.9 tp -112.57 116.5 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.981 -173.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -101.6 114.28 28.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.59 117.89 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.3 mt -108.51 115.63 30.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -101.8 147.01 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.8 m -59.84 135.14 57.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -172.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.28 146.0 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.46 -113.23 3.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.536 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -108.71 156.47 19.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.14 -37.74 81.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -89.93 -24.21 21.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -126.66 78.49 1.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.5 t -115.2 122.95 47.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.82 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.07 -31.83 73.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.17 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.9 mmt -78.68 -42.86 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -93.57 -61.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -173.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -75.26 -41.64 56.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -164.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -59.99 -45.02 94.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -77.14 -34.19 56.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.1 tpp -59.38 -29.61 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.865 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -55.75 -33.91 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -77.95 -47.13 19.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.69 22.32 53.71 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.449 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.93 -37.38 66.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.835 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.08 149.84 5.84 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.402 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -150.33 151.35 32.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.8 tp -102.87 129.92 49.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.9 m -95.22 118.04 31.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.6 t -112.55 131.5 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.462 ' HB2' ' HB3' ' A' ' 89' ' ' SER . 33.0 p90 -133.46 159.04 41.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -89.25 132.67 34.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 175.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.614 HG13 ' HB2' ' A' ' 123' ' ' ARG . 10.6 tp -68.95 -25.28 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.183 -170.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -102.09 -16.81 16.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.703 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 11.2 t-20 -92.97 101.81 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 176.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.0 m -59.43 -34.81 72.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.141 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.59 -24.01 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 58.0 m -59.24 -38.34 79.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -64.14 -36.84 85.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.63 -40.31 95.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -64.08 -39.93 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.5 mm -64.97 -40.2 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -58.75 -44.44 90.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.836 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -62.8 -42.24 99.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -57.01 -44.51 82.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -61.11 -45.59 94.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.06 -38.07 89.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.74 -50.32 63.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.8 mm -63.49 -39.41 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.56 -40.88 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -56.56 -52.48 64.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -176.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.9 t -76.81 -39.55 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -103.6 13.98 32.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -168.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -40.03 -44.9 1.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.4 t -121.76 94.92 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 173.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -165.63 163.12 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.94 81.87 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.8 t -119.84 112.24 35.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.658 0.742 . . . . 0.0 111.152 -174.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -77.6 136.75 15.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.789 2.326 . . . . 0.0 112.283 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 46.7 mtt -137.66 143.79 41.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.4 t -137.73 135.24 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 168.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.481 ' HB2' HD13 ' A' ' 139' ' ' ILE . 49.2 tp -104.56 119.22 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.35 135.06 64.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.404 ' HA3' ' CZ ' ' A' ' 82' ' ' PHE . . . -113.88 153.34 17.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.403 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.45 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 48.2 p-10 -96.43 177.69 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -170.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.99 48.8 21.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 165.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.4 m -90.88 12.37 19.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -98.84 -10.23 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 161.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 64.3 tp -89.93 120.79 31.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.14 93.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 114.98 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.117 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.614 ' HB2' HG13 ' A' ' 84' ' ' ILE . 40.7 ptt180 -165.0 -179.96 6.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.1 t -78.52 -168.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.3 m -48.6 152.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -47.07 146.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -169.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.3 p -66.09 -20.15 66.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -173.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.66 -38.07 86.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 174.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.2 -43.18 67.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.99 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.87 84.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -58.63 -48.64 80.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 172.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.2 -35.01 74.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.99 -41.99 94.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.99 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.88 85.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 174.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -67.66 -36.02 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.5 p -67.48 -20.76 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 173.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -89.66 -7.33 54.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.26 24.2 69.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.481 HD13 ' HB2' ' A' ' 113' ' ' LEU . 40.4 pt -130.41 152.21 79.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 111.145 -176.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.78 152.93 47.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.28 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -116.9 122.34 44.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.1 mm -120.17 136.36 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.181 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -107.35 123.48 48.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 5.9 t -136.53 161.58 35.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.9 t -135.32 139.32 44.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.9 -22.19 66.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.125 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.428 ' HG2' HG21 ' A' ' 148' ' ' THR . 88.8 tttt -74.74 -68.94 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -172.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.428 HG21 ' HG2' ' A' ' 147' ' ' LYS . 40.4 p -138.17 -44.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -58.13 119.9 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -169.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -90.36 113.42 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.66 -54.44 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.12 -29.51 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.22 -43.49 82.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.788 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.15 -34.7 78.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.36 96.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -62.98 -41.57 99.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -66.44 -41.96 88.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.2 m -64.83 -41.46 95.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 6' ' ' LEU . 32.4 mt -61.19 -45.06 96.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.25 -40.95 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.5 -37.14 86.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -65.88 -41.13 91.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.97 -39.98 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -61.63 -34.55 75.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . 0.43 ' HB2' HE21 ' A' ' 165' ' ' GLN . 16.5 mt-30 -75.95 -44.37 40.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 177.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 178.551 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.6 m -92.05 124.95 36.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -98.14 130.18 44.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -136.34 133.32 36.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -101.0 121.47 41.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -120.06 126.48 50.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 65.4 t -100.57 126.81 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.207 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.7 t -93.15 122.07 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.61 160.57 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.236 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.94 -176.67 42.47 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.449 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' HB2' ' A' ' 89' ' ' SER . . . -63.75 130.39 44.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 111.037 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.91 141.8 30.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.492 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.15 -1.15 69.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -94.98 -79.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 111.12 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.09 54.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.392 170.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -67.41 -35.6 79.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.382 . . . . 0.0 110.97 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -75.64 -40.19 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 175.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.12 97.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.131 -174.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.36 -42.13 93.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.9 m -67.95 -47.12 69.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.18 -48.21 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -70.42 -35.93 73.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -174.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.2 tp -63.3 -53.13 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -66.64 -32.18 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.169 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -96.84 -5.13 39.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.4 t30 50.94 46.35 26.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -160.08 144.98 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -176.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -94.78 125.39 39.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -174.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.0 159.79 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -147.3 24.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -119.67 29.72 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -87.7 133.34 33.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.98 140.06 88.36 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.55 0.69 . . . . 0.0 110.883 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -75.96 151.43 35.3 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.5 m 64.19 35.34 10.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.811 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.0 mm -115.16 138.2 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -96.82 38.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -63.66 108.22 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -110.64 154.94 23.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -170.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -130.05 150.1 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -167.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -126.15 134.19 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.873 173.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -137.4 131.14 31.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -173.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -93.19 123.99 36.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -134.08 159.96 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 -175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.96 122.7 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.155 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.2 mt -121.42 118.96 57.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 55.62 33.84 22.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.74 3.08 90.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -109.98 127.78 55.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.997 0.427 . . . . 0.0 110.888 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.2 m -74.13 128.54 35.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.0 t -138.96 139.26 37.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.7 tp -106.62 117.12 33.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.9 mt -106.42 115.24 29.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -170.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -93.51 110.05 21.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.52 114.23 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.2 tp -94.05 122.57 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -175.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -93.35 118.28 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.8 p -90.86 151.54 21.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.11 154.83 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.11 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.13 -109.4 3.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.96 169.98 16.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 110.941 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.46 -44.72 50.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -177.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -130.63 -20.06 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -83.52 76.55 9.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -167.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.7 t -150.44 140.0 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 171.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.79 81.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.085 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 67.5 mtt -67.49 -43.42 80.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -64.37 -42.43 96.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.87 -43.31 93.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -65.3 -47.19 77.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -175.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -76.12 -47.12 25.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.0 mtt -65.45 -26.83 68.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -61.92 -31.15 71.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.8 p -88.61 -32.1 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.75 ' HA3' ' HB3' ' A' ' 106' ' ' SER . . . 70.91 26.28 74.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.461 169.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.75 -38.28 69.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.0 158.64 9.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.428 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.35 148.63 28.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 110.916 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.1 tp -106.66 130.62 54.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.0 m -101.22 122.35 43.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -171.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.6 t -110.76 125.01 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.79 158.57 16.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -172.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.46 151.63 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -176.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 pt -89.94 -22.27 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -100.04 -42.25 6.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -88.09 98.98 11.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.1 m -61.09 -34.14 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.91 -17.89 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.542 ' HB2' ' HB3' ' A' ' 11' ' ' ALA . 60.5 p -58.28 -29.15 65.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.787 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -64.58 -42.74 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.74 -42.55 86.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.34 -44.19 83.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -69.43 -39.96 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -60.49 -38.72 85.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.779 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.82 -44.37 96.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.949 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -57.79 -38.98 76.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -57.25 -47.19 82.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.04 -35.05 79.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.73 -49.67 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.28 -42.22 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -67.66 -51.99 43.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -89.66 -58.14 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -172.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.8 t -70.85 -41.31 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.089 -169.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -87.61 -8.86 55.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 64.87 33.92 9.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.814 172.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.75 ' HB3' ' HA3' ' A' ' 75' ' ' GLY . 73.8 m -97.23 153.47 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -69.6 160.69 31.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.795 -174.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -91.18 105.41 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.449 ' O ' ' HG3' ' A' ' 111' ' ' MET . 33.8 m -110.4 160.02 29.99 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.615 0.722 . . . . 0.0 111.029 -176.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.34 133.38 42.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.57 2.18 . . . . 0.0 112.394 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.454 ' O ' ' HB ' ' A' ' 139' ' ' ILE . 55.4 mtt -129.98 161.95 29.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.7 t -129.55 133.35 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.5 mt -102.28 121.8 42.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.7 t -118.93 129.09 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -170.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.61 146.12 16.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -100.0 168.66 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -171.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 49.52 45.41 24.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.8 m -93.16 11.76 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.789 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.457 ' HB3' ' HB2' ' A' ' 149' ' ' ARG . 58.9 p30 -114.43 4.02 15.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 169.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.1 mt -107.0 159.31 16.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 175.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.92 79.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.71 98.29 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.018 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -110.04 172.16 7.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.795 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.8 t -81.44 -170.29 2.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.178 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 33.9 m -51.66 153.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.207 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -43.6 130.04 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -176.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.9 m -58.71 -30.11 67.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -172.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.03 -39.15 92.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.927 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -70.84 -46.5 62.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.03 80.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -64.99 -45.52 85.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 175.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -63.24 -34.5 77.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.05 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.9 76.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -66.27 -30.56 71.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -176.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.7 p -64.86 -22.32 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -104.16 0.32 29.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.876 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.99 27.67 64.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.454 ' HB ' ' O ' ' A' ' 111' ' ' MET . 40.0 pt -126.07 159.94 59.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.593 0.711 . . . . 0.0 111.171 -174.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 90.5 Cg_endo -79.62 154.5 23.84 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 -176.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -113.27 129.99 56.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 172.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.3 mm -118.11 138.31 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.193 -174.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -99.99 130.24 46.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.447 HG22 HG13 ' A' ' 152' ' ' VAL . 6.3 t -134.71 177.64 7.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.9 t -149.68 131.55 15.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 168.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.13 -20.26 63.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 166.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -74.05 -69.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 42.1 p -142.24 -44.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' A' ' 119' ' ' ASP . 75.7 ttt180 -61.13 128.43 36.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.794 -171.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.98 118.47 29.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.982 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -127.72 -51.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.416 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 144' ' ' THR . 15.7 m -55.75 -27.34 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 111.142 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -55.88 -46.33 78.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.89 -43.7 71.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.37 -31.89 73.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 152' ' ' VAL . 89.2 t80 -61.97 -49.79 74.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -173.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -80.54 -36.94 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.4 m -64.52 -44.08 92.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.221 -178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.36 -44.91 96.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.18 -44.61 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -57.69 -48.44 79.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -68.72 -42.93 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -171.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.8 mt -70.27 -39.87 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -64.64 -40.7 95.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -79.98 -32.49 39.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.43 ' OXT' ' CG ' ' A' ' 166' ' ' HIS . 85.9 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 170.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 ttm . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.836 0.35 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.2 m -97.96 125.56 42.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -96.84 133.22 41.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -175.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -119.95 116.37 25.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -96.63 106.07 18.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.881 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.7 mt -107.13 123.76 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.0 125.07 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.9 t -95.73 127.49 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 -178.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.2 m -128.83 152.66 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.5 175.37 39.82 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.38 128.07 34.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.52 146.95 39.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.91 -33.33 6.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.4 t -75.68 -84.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.894 0.378 . . . . 0.0 111.057 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.24 55.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.415 171.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -64.83 -36.56 84.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -83.74 -50.25 8.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.68 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.068 -172.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' HG ' HG22 ' A' ' 152' ' ' VAL . 55.8 tp -63.78 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 p -82.95 -33.39 26.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.7 -39.22 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -62.64 -24.45 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.57 -41.37 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.434 HG21 ' HB3' ' A' ' 40' ' ' TYR . 47.7 mm -68.52 -30.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.23 -4.42 51.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -176.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 57.17 37.18 28.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -168.18 141.26 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -79.78 116.32 19.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -170.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.4 m -130.96 152.58 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -145.07 24.97 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -109.97 25.73 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -176.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -82.18 130.17 35.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.06 140.01 90.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.872 -176.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.88 151.04 39.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -176.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m 61.85 34.94 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 176.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mm -112.89 135.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.215 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -101.56 39.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -86.62 99.9 12.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.4 m -89.51 156.6 18.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.434 ' HB3' HG21 ' A' ' 24' ' ' ILE . 97.7 m-85 -129.47 150.16 50.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -171.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -130.09 140.26 50.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' HB2' HG23 ' A' ' 24' ' ' ILE . 80.5 tttt -135.78 130.57 34.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 176.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -75.09 125.91 29.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 174.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -133.66 161.79 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.037 -173.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.19 122.5 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.151 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.1 mt -124.51 120.41 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 58.7 29.55 18.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.16 -0.91 88.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -103.6 139.27 39.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.954 0.407 . . . . 0.0 110.878 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.4 m -69.75 122.13 18.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.3 m -132.46 158.64 41.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -109.65 123.24 49.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 172.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.31 97.82 10.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -99.4 109.36 21.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -101.62 116.81 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 mt -102.99 126.29 50.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -171.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -92.63 139.98 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.041 0.448 . . . . 0.0 110.845 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.2 p -109.16 147.42 32.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.05 145.43 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.04 -104.97 2.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.459 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -84.92 159.02 20.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.668 0.27 . . . . 0.0 110.941 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.71 -41.38 53.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -140.03 0.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.38 77.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -173.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.404 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 15.4 t -155.05 154.04 31.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 175.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.9 73.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.063 172.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.8 tpp -79.94 -40.17 28.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 23.9 tpt180 -80.2 -60.51 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -174.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.01 -42.07 94.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -169.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.92 -49.62 71.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -172.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -77.92 -33.07 51.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -173.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.7 mmm -64.38 -24.75 67.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.954 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -54.15 -36.59 63.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 174.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.8 m -80.91 -50.09 10.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 175.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 26.7 73.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 172.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -51.74 -41.46 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 172.65 159.98 20.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -145.16 150.0 35.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.1 tp -104.65 126.85 52.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.9 115.37 28.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.9 t -101.17 123.94 54.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -94.13 134.0 37.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.45 152.14 28.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mm -80.76 -35.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -173.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -99.85 -40.45 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -84.88 96.25 9.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.1 m -62.7 -33.81 75.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 173.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.51 -18.01 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -175.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.7 p -56.81 -33.63 66.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.819 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.91 -48.45 74.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.5 -38.58 90.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.929 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.32 -40.97 98.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.73 -43.06 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -60.08 -43.61 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -63.27 -44.57 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -62.94 -38.01 89.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -59.15 -52.79 64.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.31 -34.53 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.525 ' O ' HG21 ' A' ' 103' ' ' VAL . 28.9 tt0 -66.3 -52.85 43.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -176.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.15 -39.9 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.108 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -55.25 -46.09 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.96 -39.26 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.525 HG21 ' O ' ' A' ' 99' ' ' GLN . 54.4 t -64.54 -38.1 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -94.97 -5.0 45.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 54.97 46.65 23.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -174.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 t -99.93 156.87 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.735 -173.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -79.49 -179.7 6.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.829 169.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -76.59 118.9 19.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.51 160.21 28.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.724 . . . . 0.0 111.08 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -53.46 131.16 42.15 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.5 ttt -145.02 139.98 27.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.6 t -133.79 138.32 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.157 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.6 tp -102.72 123.52 46.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.48 134.57 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 144' ' ' THR . . . -114.11 147.79 18.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.431 HD22 ' HB3' ' A' ' 146' ' ' ALA . 16.8 t-20 -100.02 170.55 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -170.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.4 mttt 54.97 38.67 30.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.0 m -84.95 -11.39 55.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.854 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -104.33 3.55 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.48 157.46 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.16 94.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 175.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.03 97.54 5.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.054 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -110.04 154.96 22.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -173.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.7 t -84.94 -167.59 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 34.0 m -50.8 154.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.12 132.62 47.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -169.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.2 m -58.06 -34.97 70.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.3 -37.14 84.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -68.42 -46.15 70.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.12 79.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -65.21 -46.37 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.01 -36.89 85.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.92 -41.03 95.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.458 ' HB2' HG13 ' A' ' 139' ' ' ILE . . . -64.89 -41.32 95.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -67.19 -30.44 70.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.1 m -64.94 -30.99 72.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -94.36 -3.22 50.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.07 29.65 53.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.478 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.458 HG13 ' HB2' ' A' ' 134' ' ' ALA . 45.9 pt -125.05 156.68 69.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.34 150.49 32.62 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.408 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -115.77 127.09 54.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 173.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -125.83 139.94 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.123 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -97.44 133.38 42.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.573 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 6.0 t -135.17 172.36 13.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 177.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 47.1 t -142.6 129.99 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 171.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.431 ' HB3' HD22 ' A' ' 116' ' ' ASN . . . -59.21 -21.82 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 171.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.05 -64.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 92.8 m -144.77 -44.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -175.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.429 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 75.8 ttt180 -62.67 130.05 43.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -169.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -90.08 121.13 31.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.573 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -136.67 -52.54 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.429 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.441 HG21 HG22 ' A' ' 144' ' ' THR . 56.4 t -55.55 -39.28 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.767 0.318 . . . . 0.0 111.078 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.09 -43.62 82.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -67.17 -34.52 77.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.35 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -62.13 -44.72 96.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 173.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -64.5 -43.97 92.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 92.2 m -66.86 -40.53 87.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.204 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.44 -38.41 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.27 -42.66 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -62.74 -37.67 87.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.08 -36.77 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.4 mt -64.95 -40.34 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.74 -39.2 93.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 -173.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -83.22 -33.39 26.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.411 ' ND1' ' OXT' ' A' ' 166' ' ' HIS . 65.4 t-80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.847 173.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.848 0.356 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.9 m -98.63 124.74 43.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.092 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -92.09 137.0 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -173.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -127.15 140.08 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -97.21 112.56 24.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.5 tp -119.78 128.0 53.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -108.02 132.4 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.251 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -101.57 124.98 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.97 162.12 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.212 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.07 -178.21 40.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.436 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.66 135.52 52.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 111.086 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.12 161.23 50.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.405 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.28 -37.99 3.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.415 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -75.03 -84.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 0.0 111.086 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.67 64.95 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 170.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -66.47 -27.71 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 171.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -66.78 -40.08 88.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.156 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.12 -39.75 93.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.0 m -65.78 -46.97 76.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.77 -38.26 81.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.485 ' HG3' ' HA ' ' A' ' 28' ' ' PHE . 26.7 tt0 -67.13 -49.86 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -167.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.67 -46.32 79.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.899 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -64.99 -33.24 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.72 -2.38 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 55.56 42.62 29.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.463 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 85.3 t60 -158.87 140.63 13.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -176.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.485 ' HA ' ' HG3' ' A' ' 22' ' ' GLN . 79.6 m-85 -80.03 122.09 26.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -172.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -134.96 153.05 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -169.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -145.07 23.61 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -109.12 40.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -68.38 152.96 44.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -98.76 114.61 65.59 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.2 145.88 61.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.8 m 50.01 60.0 4.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 tp -122.9 149.8 26.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.212 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.56 9.9 24.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -75.01 85.06 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.2 m -97.95 160.62 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -130.23 145.65 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -167.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -129.19 137.13 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 171.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -145.42 135.89 24.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -174.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -83.13 127.21 33.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -134.92 160.06 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.8 t -112.68 122.14 66.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.177 172.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 88.3 mt -125.6 121.98 61.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 59.65 26.5 15.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -175.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.22 -4.23 84.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.573 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -100.61 129.15 46.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.872 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -80.23 122.09 26.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -173.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.8 m -127.75 154.78 44.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 tp -113.38 112.11 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 173.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.9 tp -96.95 110.78 23.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -169.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -97.66 109.26 22.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 176.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.5 mt -102.28 115.28 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 tp -104.54 118.32 36.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -92.52 120.69 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -79.56 139.93 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.08 139.94 41.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.0 -114.95 5.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . 98.8 mm-40 -86.73 143.37 27.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.696 0.284 . . . . 0.0 110.994 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -76.68 -36.44 57.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.874 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -97.01 -11.09 24.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.407 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 69.5 m-85 -114.85 80.51 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 175.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.8 t -156.79 136.06 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.41 75.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.051 167.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.4 mtm -66.85 -38.57 86.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -61.76 -51.05 69.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.67 -35.08 79.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -173.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -62.16 -51.06 69.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -169.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -77.02 -37.54 54.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.7 mmm -64.04 -23.26 67.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -57.09 -33.52 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.6 p -91.79 -27.32 18.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.06 22.4 76.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.46 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.84 -49.11 77.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.68 162.25 21.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.531 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -149.98 149.75 30.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.4 tp -100.96 131.54 46.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.8 t -106.66 116.48 32.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -174.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.94 130.02 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.437 ' HB2' HD11 ' A' ' 113' ' ' LEU . 56.1 t80 -112.52 144.14 42.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -170.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.42 157.51 37.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -172.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.7 mm -83.25 -40.43 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -100.17 -40.66 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -80.35 100.05 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -171.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.5 m -64.24 -34.25 77.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.078 172.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.36 -21.67 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -173.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.8 m -56.54 -32.95 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.73 -40.18 91.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.86 -39.13 93.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.78 -38.57 91.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 175.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.12 -40.45 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.03 -43.13 95.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.787 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.17 -42.09 97.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -60.21 -43.48 95.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -59.2 -51.0 71.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.59 -32.45 74.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.994 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -65.0 -47.54 77.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.86 -48.03 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.94 -58.97 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -86.31 -56.76 3.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -170.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.1 t -69.25 -41.37 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -168.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.8 -6.51 42.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 54.93 41.05 32.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -100.22 153.24 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.82 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.1 p30 -75.13 -179.9 4.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.774 173.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -65.33 112.88 3.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.5 t -92.32 130.76 36.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 111.093 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -49.86 126.99 17.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.743 2.296 . . . . 0.0 112.374 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.442 ' HE1' HD11 ' A' ' 139' ' ' ILE . 43.0 ttp -146.57 141.58 27.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 77.0 t -131.1 138.15 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.148 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 82' ' ' PHE . 51.9 tp -93.61 121.95 35.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 91.7 t -117.09 127.71 74.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.14 139.62 15.45 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.46 173.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.4 ' OD1' ' HA ' ' A' ' 145' ' ' SER . 13.9 t-20 -99.89 173.51 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 -174.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 60.4 35.02 20.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 171.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 98.1 m -87.2 4.9 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 -176.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -112.46 2.44 16.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.82 170.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.9 mt -104.71 164.3 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.008 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.44 91.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.41 95.43 4.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.041 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -110.08 159.9 16.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.806 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.2 t -80.12 -170.04 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.8 t -46.5 133.34 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -48.39 137.6 11.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -171.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.0 p -57.78 -30.83 65.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -168.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -65.02 -45.32 86.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 176.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.458 HE21 ' HB2' ' A' ' 129' ' ' GLN . 15.0 mt-30 -74.84 -41.18 60.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.95 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -58.0 -49.92 75.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.36 -34.85 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 133' ' ' LEU . 0.8 OUTLIER -64.96 -38.6 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 175.454 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.479 ' HB2' HG13 ' A' ' 139' ' ' ILE . . . -68.39 -34.94 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 173.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -65.21 -25.1 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.3 p -65.02 -22.84 67.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.429 ' HB2' HG12 ' A' ' 139' ' ' ILE . 26.2 m-85 -104.93 -0.56 26.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.24 28.82 67.41 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.479 HG13 ' HB2' ' A' ' 134' ' ' ALA . 45.1 pt -120.83 157.3 55.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.688 0.756 . . . . 0.0 111.129 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.35 154.14 31.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.356 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -112.23 128.84 56.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 44.5 mm -121.0 136.13 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.417 ' O ' ' HA3' ' A' ' 151' ' ' GLY . 56.1 mt-10 -102.77 126.98 50.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.2 t -136.9 176.38 8.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 149' ' ' ARG . 31.0 t -148.9 136.01 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 177.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.93 -12.87 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.054 168.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -94.92 -68.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 -168.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.6 p -138.66 -38.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -173.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 145' ' ' SER . 76.6 ttt180 -81.82 103.7 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 -170.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -75.01 121.37 21.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 143' ' ' GLU . . . -131.63 -48.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 174.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 5.7 p -56.62 -28.24 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 0.0 111.16 -168.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.28 -44.48 71.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -67.33 -35.3 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.976 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.34 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -65.59 -42.23 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -64.34 -44.57 91.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 87.5 m -67.65 -43.59 79.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.159 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.03 -44.12 90.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.994 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.86 -38.01 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 164' ' ' ARG . 59.3 ttt85 -55.06 -43.05 73.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 172.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.92 -38.07 82.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.62 -37.28 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . 0.404 ' HD3' ' HA ' ' A' ' 161' ' ' ARG . 41.3 mtp180 -61.95 -26.9 68.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -84.55 -47.01 11.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.793 178.147 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.5 m -111.14 134.86 52.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -90.84 128.73 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -117.62 117.5 29.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -97.87 109.89 22.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.817 -175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.6 tp -106.6 130.04 54.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -105.49 120.41 56.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 168.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.8 t -99.98 124.96 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.9 t -130.42 143.29 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.23 178.08 45.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.22 122.64 25.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 111.043 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.75 141.83 30.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.02 -75.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.2 t -80.44 -49.66 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.85 58.36 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -52.91 -48.62 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.714 0.292 . . . . 0.0 110.838 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -64.95 -39.91 94.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.815 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.68 97.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 61.0 tp -66.37 -40.14 89.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.985 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.449 HG22 ' HB2' ' A' ' 57' ' ' ASP . 97.0 m -66.89 -44.56 80.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -72.77 -37.55 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 -173.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.8 pp0? -65.0 -23.19 67.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.9 tp -70.8 -48.71 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.458 HG23 ' HG2' ' A' ' 25' ' ' GLN . 10.2 tp -78.07 -26.51 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -176.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 97.9 mm-40 -101.57 -23.94 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -176.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.9 m-20 70.19 14.82 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -140.97 146.66 37.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -92.06 120.55 32.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.39 160.78 33.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.08 -25.25 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.1 133.43 48.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -122.27 164.3 18.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -90.1 113.34 56.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.7 168.49 24.66 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.5 p -53.78 -27.24 27.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -76.24 124.36 34.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 170.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -48.93 109.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.799 -173.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -122.82 76.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.408 ' HB3' HD13 ' A' ' 56' ' ' LEU . 80.9 p -74.98 156.72 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.756 177.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -124.57 143.38 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.914 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -130.51 139.98 50.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -157.44 136.49 11.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -89.92 127.31 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.9 m -138.24 164.93 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.091 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.0 t -99.78 122.66 51.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 174.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.3 mt -122.61 122.27 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 58.61 30.41 19.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.89 -0.77 89.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.424 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -109.08 129.28 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.925 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -79.11 128.14 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.2 p -146.2 167.39 23.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.1 tp -116.93 120.99 40.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.4 mt -104.35 131.71 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -123.31 109.9 14.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 172.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.436 HD13 ' HB ' ' A' ' 24' ' ' ILE . 75.9 mt -113.24 126.63 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 -171.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 39' ' ' SER . 47.3 tp -116.26 122.37 44.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -178.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.449 ' HB2' HG22 ' A' ' 20' ' ' THR . 37.0 t70 -85.21 133.77 34.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.8 173.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.2 p -86.75 158.43 19.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.39 131.33 15.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.069 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.61 62.39 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.2 pm0 -64.16 -18.89 64.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 110.876 -173.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.98 -36.4 77.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.3 mt-10 -118.47 42.52 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 -173.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.547 ' C ' ' O ' ' A' ' 63' ' ' GLU . 66.9 m-85 -27.1 125.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.963 -175.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.1 t -79.96 148.99 30.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.793 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.79 -27.71 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.074 172.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.8 mtm -66.52 -36.95 83.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.884 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -76.98 -38.01 54.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 72' ' ' MET . 99.1 m-20 -59.79 -29.18 68.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -55.26 -52.19 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -74.0 -35.83 64.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.431 ' HB2' ' HA ' ' A' ' 69' ' ' ASP . 74.2 mtp -63.49 -38.32 90.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -176.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -69.76 -32.52 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.981 0.42 . . . . 0.0 110.923 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.5 m -72.96 -47.98 40.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.597 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 75.1 27.28 64.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.413 166.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -50.78 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.78 151.86 20.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.464 168.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -144.05 126.79 16.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 0.0 110.812 -175.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.3 tp -111.38 125.09 53.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.882 -176.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.5 m -106.23 116.85 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.1 t -114.32 125.16 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.415 ' HB2' ' OG ' ' A' ' 89' ' ' SER . 44.6 p90 -147.51 162.19 39.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -84.55 140.0 31.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.7 tp -80.4 -20.13 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.489 ' ND2' ' HB1' ' A' ' 121' ' ' ALA . 55.6 p30 -104.37 -15.82 15.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -173.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.538 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 38.4 t-20 -88.32 113.33 23.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 172.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.5 m -64.27 -44.27 92.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.7 -28.93 68.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' A' ' 82' ' ' PHE . 9.6 t -58.24 -33.19 69.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -61.03 -42.63 98.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.26 -33.02 71.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.64 -30.46 67.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -176.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.8 mm -62.31 -44.22 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -63.52 -42.75 98.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.791 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -65.09 -47.36 77.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -64.43 -42.4 96.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.28 -50.32 74.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.032 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -71.66 -40.83 69.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -67.86 -47.64 68.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.6 mt -56.85 -46.94 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.76 -44.01 81.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -70.39 -43.4 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.07 -41.99 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 -173.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -87.33 -2.21 58.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 55.0 43.04 30.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 172.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.1 m -135.99 174.11 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -176.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -75.04 175.97 7.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -177.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -84.49 121.01 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.597 HG11 ' HA3' ' A' ' 75' ' ' GLY . 31.4 m -95.92 155.68 38.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 111.139 -174.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 36.5 Cg_endo -64.83 135.94 46.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.611 2.208 . . . . 0.0 112.311 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 24.2 ptp -147.05 159.98 42.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.401 ' HA ' HG12 ' A' ' 139' ' ' ILE . 96.7 t -121.97 133.92 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.156 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.2 mp -96.93 127.28 42.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.2 t -124.6 126.92 72.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -86.51 136.45 14.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -110.05 166.73 10.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 58.84 57.04 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 173.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.0 m -86.58 -27.08 24.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -103.02 -9.86 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 79.1 mt -101.69 130.47 48.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.489 ' HB1' ' ND2' ' A' ' 85' ' ' ASN . . . 49.53 85.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.048 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.54 142.61 48.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -120.06 178.24 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.872 -172.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.5 p -125.03 73.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 168.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 83.9 t -120.26 134.25 64.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -69.17 122.34 18.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.8 p -64.87 -26.54 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.85 -39.27 91.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -68.32 -45.15 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.91 96.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.426 HE21 ' HB2' ' A' ' 131' ' ' GLN . 11.2 mt-30 -69.51 -45.49 68.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.454 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 89.4 m-20 -59.93 -30.16 68.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.818 -178.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 68.6 tp -58.24 -47.07 84.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.514 ' HB1' ' HB2' ' A' ' 141' ' ' TYR . . . -73.61 -33.44 64.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 176.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.454 ' HB2' ' HA ' ' A' ' 132' ' ' ASP . 99.2 mtt180 -65.5 -32.04 73.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -177.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.2 p -65.12 -23.91 67.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -102.83 4.69 38.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.957 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.7 38.89 41.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 112' ' ' VAL . 6.0 tp -143.19 132.24 11.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.089 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.72 147.32 24.73 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.707 2.272 . . . . 0.0 112.393 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.514 ' HB2' ' HB1' ' A' ' 134' ' ' ALA . 57.4 t80 -107.36 133.58 51.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -172.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 96.4 mt -116.98 132.31 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -110.0 128.77 55.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.974 173.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.4 HG22 ' HA3' ' A' ' 151' ' ' GLY . 12.8 t -150.39 -179.87 7.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.445 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 58.2 m -129.87 121.41 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 171.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.71 -25.96 66.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 -172.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.19 -50.01 65.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -171.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.4 p -124.78 -16.78 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -169.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.445 ' HB2' ' H ' ' A' ' 145' ' ' SER . 93.5 mtt-85 -113.32 147.94 36.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -169.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -99.91 110.32 22.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 168.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.4 ' HA3' HG22 ' A' ' 144' ' ' THR . . . -119.2 -27.67 2.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.42 174.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.53 -26.84 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.163 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.78 -47.2 86.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.887 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.89 -35.17 79.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.55 94.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.46 -37.85 83.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -61.52 -36.89 81.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.2 m -63.45 -42.68 98.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 74.1 mt -61.74 -41.8 98.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.83 -43.88 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.069 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.49 -40.14 96.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -65.04 -41.28 95.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.54 -41.4 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.5 -34.37 78.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -70.68 -44.52 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 62.1 m170 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.1 m -79.47 130.1 35.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.071 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -97.88 130.59 44.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -119.59 127.76 53.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.6 100.02 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.801 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.677 ' CD2' ' HA3' ' A' ' 77' ' ' GLY . 44.3 mt -109.39 125.81 52.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -169.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.7 t -103.88 124.01 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.17 128.67 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m -123.0 161.67 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.06 152.37 5.63 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.31 142.48 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.129 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.51 132.38 27.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.541 175.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.03 -54.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.587 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.6 t -108.13 -57.01 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.88 55.05 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 2.1 tmmm? -50.27 -66.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 43.6 t -69.98 -39.94 75.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.7 94.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -170.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 87.2 mt -65.84 -33.17 75.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.0 m -70.87 -41.88 70.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.0 mt -67.83 -40.91 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -174.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.8 pp0? -62.78 -24.01 67.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -172.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.6 tp -66.18 -44.32 84.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 97.2 mt -80.85 -36.76 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.099 -175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 99.5 mm-40 -96.67 -12.46 23.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -175.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.7 m-20 69.2 15.08 8.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -140.38 139.31 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -102.09 119.74 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 m -124.93 165.13 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -78.49 -11.95 59.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.71 152.41 37.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.407 ' HB2' ' HB3' ' A' ' 17' ' ' SER . 47.7 p90 -137.64 162.5 33.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.979 -177.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -64.78 115.13 17.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.552 0.691 . . . . 0.0 110.902 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.27 166.47 28.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.741 2.294 . . . . 0.0 112.314 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.5 p -55.28 -27.53 47.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 172.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.66 131.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 173.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -47.36 111.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.833 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -142.64 62.77 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 172.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -77.22 158.13 30.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -126.49 144.71 50.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HG2' ' HA ' ' A' ' 54' ' ' ASP . 99.2 mtt180 -122.72 141.06 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.888 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -141.49 129.51 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -95.08 123.64 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -137.47 159.96 35.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -173.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -107.73 121.08 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 170.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.2 mt -123.34 121.08 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 56.09 32.4 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.65 -2.07 88.34 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -102.09 118.85 37.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.9 m -77.18 129.18 35.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.157 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -148.64 160.0 43.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.1 tp -111.96 121.73 45.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.2 mt -94.94 110.17 22.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 59.5 t0 -94.87 108.3 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 174.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.9 mm -105.92 119.2 54.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.081 -168.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.43 HD22 ' HG2' ' A' ' 68' ' ' ARG . 69.7 tp -116.92 117.01 28.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.963 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -89.75 139.63 30.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.486 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 67.6 p -85.78 147.35 26.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -155.82 129.67 8.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.049 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.53 49.88 57.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.422 -169.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -59.79 -22.42 62.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.682 0.277 . . . . 0.0 110.812 -167.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.0 -30.27 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.593 ' O ' ' C ' ' A' ' 64' ' ' TYR . 67.7 mm-40 -99.96 33.94 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.593 ' C ' ' O ' ' A' ' 63' ' ' GLU . 66.2 m-85 -20.9 108.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.6 p -79.63 154.85 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.98 -32.83 74.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.065 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -63.82 -44.9 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.881 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.486 ' HE ' ' HA ' ' A' ' 58' ' ' THR . 71.2 mtt85 -75.46 -29.75 59.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.897 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.74 -31.3 72.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.93 -51.53 69.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -72.56 -35.61 68.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.412 ' SD ' HG23 ' A' ' 100' ' ' ILE . 59.9 ttm -64.87 -43.15 93.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HA ' ' HB2' ' A' ' 104' ' ' LYS . 94.0 mtt-85 -69.75 -30.45 68.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -174.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.9 m -78.68 -49.93 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.88 27.73 64.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.487 165.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -46.79 -48.57 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -177.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.677 ' HA3' ' CD2' ' A' ' 6' ' ' LEU . . . -141.91 153.9 24.54 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 172.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -144.99 116.14 7.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -171.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.3 tp -117.71 125.07 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.479 ' HB3' HD21 ' A' ' 113' ' ' LEU . 42.4 t -107.25 121.36 44.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.1 t -105.29 128.01 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -147.98 178.28 8.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.96 138.22 40.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.6 mt -79.68 -29.94 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -83.67 -19.67 34.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -91.51 115.0 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.0 m -65.91 -43.52 87.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.29 -27.43 67.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.1 t -59.07 -35.92 74.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -66.29 -37.65 85.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -71.45 -32.62 68.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.54 -43.41 98.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.0 pt -73.59 -24.91 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -61.78 -43.25 99.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 169.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.421 ' HB2' HE21 ' A' ' 95' ' ' GLN . 14.4 mt-30 -68.89 -40.11 79.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 177.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -54.16 -45.09 71.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -57.26 -51.98 67.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.916 -173.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -70.71 -45.16 65.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.454 ' O ' HG21 ' A' ' 103' ' ' VAL . 31.2 tt0 -65.71 -49.04 69.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -174.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.412 HG23 ' SD ' ' A' ' 72' ' ' MET . 90.7 mt -60.2 -42.55 90.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 176.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.407 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 87.9 tttt -58.95 -43.21 91.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.971 178.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -65.7 -37.49 86.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.454 HG21 ' O ' ' A' ' 99' ' ' GLN . 64.2 t -67.48 -43.3 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 73' ' ' ARG . 62.8 pttt -80.74 -10.28 59.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 55.99 37.39 28.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 174.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.5 m -135.81 171.26 14.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -174.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -77.16 -179.93 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -81.98 109.63 16.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.801 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 111' ' ' MET . 31.6 m -85.84 160.95 51.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 111.089 177.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -52.06 128.51 27.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 109' ' ' VAL . 65.0 mtt -125.2 159.18 32.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.3 t -131.55 136.65 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 163.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.479 HD21 ' HB3' ' A' ' 80' ' ' CYS . 82.0 mt -98.17 123.84 42.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 175.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 114' ' ' VAL . 10.7 p -125.22 126.12 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 177.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.1 142.14 17.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -97.59 170.05 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.917 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 68.04 40.77 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 53.8 t -67.38 -45.65 75.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 171.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -104.09 -14.03 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.6 mt -95.31 163.18 13.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 54.96 84.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 177.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.55 113.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 124' ' ' THR . 20.4 tpt85 -139.74 172.37 12.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.419 ' H ' ' HG3' ' A' ' 123' ' ' ARG . 61.7 p -120.54 73.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 174.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 96.5 t -118.49 118.49 58.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 173.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -70.68 126.92 30.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.1 m -63.94 -33.52 75.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.88 -39.68 93.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -67.07 -47.41 71.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.91 82.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -66.28 -45.47 80.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.13 -34.24 76.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.52 -39.3 93.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.011 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 139' ' ' ILE . . . -67.18 -38.39 85.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -66.14 -29.88 70.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -174.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.1 p -64.61 -23.94 67.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -105.0 -1.14 26.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.35 28.83 67.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.631 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 90.0 mt -112.61 131.15 22.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.624 0.726 . . . . 0.0 111.115 -173.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.07 144.52 68.71 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.739 2.293 . . . . 0.0 112.266 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -115.96 120.57 39.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.1 mm -118.01 132.27 68.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -109.85 134.5 51.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.466 ' CB ' ' HA3' ' A' ' 151' ' ' GLY . 14.6 t -143.04 177.58 8.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.483 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 36.5 t -143.16 123.21 13.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.45 -20.93 49.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.424 ' HG2' HG21 ' A' ' 148' ' ' THR . 86.0 tttt -55.76 -63.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.424 HG21 ' HG2' ' A' ' 147' ' ' LYS . 62.2 p -133.19 -21.65 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.483 ' HB2' ' H ' ' A' ' 145' ' ' SER . 93.7 mtt-85 -79.0 134.62 36.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -167.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -89.64 111.02 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 165.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -110.47 -29.9 3.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.41 -41.0 91.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 111.16 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.31 -48.43 81.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.93 -35.32 80.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.18 94.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.409 ' HD1' ' HA ' ' A' ' 156' ' ' PHE . 8.5 m-30 -63.54 -41.7 98.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 175.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -64.41 -40.96 96.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.5 m -66.93 -39.17 87.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 173.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.47 -46.86 81.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -173.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.26 -28.31 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.38 -41.16 94.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 172.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -68.69 -35.91 77.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.41 -42.66 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -71.77 -22.71 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -80.0 -59.95 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.807 -177.483 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.4 m -92.8 120.76 33.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.16 143.08 51.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -116.74 129.58 56.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.023 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -99.98 115.17 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -111.53 127.92 55.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.924 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.0 t -105.7 123.24 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.7 t -98.73 120.8 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.1 t -133.32 142.79 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.639 ' HA3' ' HB ' ' A' ' 81' ' ' VAL . . . 173.14 -174.39 45.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -67.49 137.5 55.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.116 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.32 141.91 34.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.07 17.95 73.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.461 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.475 HG22 ' HB1' ' A' ' 11' ' ' ALA . 88.1 t -104.74 -63.79 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.118 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.37 54.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -77.13 -48.15 18.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.802 0.334 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.414 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 39.8 t -71.22 -41.33 70.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.771 171.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.88 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -171.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.61 -33.06 73.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.6 m -64.46 -42.19 96.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.43 -38.4 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.636 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.4 tp-100 -60.09 -31.42 70.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.59 -45.97 18.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 175.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.0 mm -80.04 -51.43 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -170.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -97.96 -22.88 16.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 14.7 m120 69.54 34.97 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 175.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -159.84 142.15 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -89.29 116.42 27.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.801 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.72 166.48 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -88.01 8.3 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -89.99 79.06 6.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 24.8 t80 -80.65 135.8 36.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -61.98 145.4 92.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.688 . . . . 0.0 110.896 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.89 158.45 51.12 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -40.56 -52.14 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -107.89 130.01 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -158.89 155.72 28.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -76.22 171.39 14.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.434 ' HB3' HD13 ' A' ' 56' ' ' LEU . 99.7 p -80.05 160.9 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -124.67 143.81 50.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -133.14 144.45 49.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 -171.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -150.44 142.27 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -69.96 124.4 23.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -137.28 164.97 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.41 120.13 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 172.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -125.23 121.59 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t0 57.02 35.34 26.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -174.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.67 -0.76 85.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.539 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -108.06 130.08 55.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.88 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -70.7 127.49 32.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 175.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.3 p -152.9 173.75 14.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.9 tp -105.02 120.04 40.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.5 tp -97.82 114.94 27.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -108.61 112.53 24.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.1 mt -107.31 122.23 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -172.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 39' ' ' SER . 51.3 tp -110.47 124.79 52.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.986 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -86.14 150.22 24.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.1 p -88.5 164.28 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 62' ' ' GLU . . . -139.46 85.51 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.77 -117.08 9.73 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.547 176.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -85.65 -11.18 54.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.94 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.428 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 70.9 mm-40 -73.19 -9.23 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 174.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -54.38 -20.03 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -109.96 77.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -137.15 176.33 8.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.28 75.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.187 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.5 mtp -65.05 -42.34 94.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 177.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' HD3' HD22 ' A' ' 56' ' ' LEU . 1.8 mpp_? -76.22 -32.41 58.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -176.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.8 -39.56 94.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.45 -47.19 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -176.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -76.31 -46.54 27.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.985 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.1 tpt -65.13 -31.89 73.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.813 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.13 -39.28 92.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 63.4 m -80.03 -46.62 16.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.44 27.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 168.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -74.22 -46.0 44.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.76 162.59 28.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.457 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -153.39 129.17 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -175.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.5 tp -111.56 126.01 54.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.946 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 113' ' ' LEU . 76.6 m -103.31 122.41 44.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 175.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.639 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 58.4 t -108.41 118.46 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 -174.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.19 146.55 39.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -174.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.29 151.13 21.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.436 HG13 ' HB2' ' A' ' 123' ' ' ARG . 2.5 tp -89.17 -26.08 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -177.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.4 p-10 -97.14 -38.79 9.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -173.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -84.96 99.97 11.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -59.26 -36.44 75.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.51 -24.95 67.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -58.46 -37.53 75.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.913 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -63.28 -43.2 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.95 -42.94 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.23 -40.91 94.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.73 -39.93 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -57.83 -44.03 86.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' A' ' 95' ' ' GLN . 17.1 mt-30 -65.06 -41.22 95.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 176.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -59.71 -38.27 81.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -57.98 -48.33 80.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.53 -33.78 74.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -65.38 -45.42 84.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.984 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.44 -42.22 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.51 -43.69 80.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.98 -37.74 84.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.895 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.99 -40.07 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -84.46 -15.95 44.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 177.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 61.76 29.35 18.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -173.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.9 t -176.7 145.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.812 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -136.13 104.95 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -136.57 75.66 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 173.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.44 130.06 6.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.681 0.753 . . . . 0.0 111.067 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.5 134.22 23.96 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.629 2.22 . . . . 0.0 112.347 172.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 23.4 ptp -135.11 154.96 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -174.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.446 ' HA ' HD11 ' A' ' 139' ' ' ILE . 9.7 p -128.18 139.98 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.401 ' HA ' ' HB2' ' A' ' 80' ' ' CYS . 18.7 mt -97.85 116.25 29.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.006 -173.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.9 t -126.8 125.62 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.22 144.12 16.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.543 175.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -98.76 170.01 9.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 54.36 35.37 22.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.2 m -75.01 -8.59 56.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -94.89 0.92 55.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 tp -80.62 121.64 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.17 93.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.71 86.47 4.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.04 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.436 ' HB2' HG13 ' A' ' 84' ' ' ILE . 35.7 ptt-85 -145.34 155.22 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.855 -176.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.0 p -132.97 75.02 1.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 67.9 t -124.21 115.0 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -82.15 126.93 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 174.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.2 p -62.87 -29.85 71.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.72 -36.51 84.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -66.44 -45.26 80.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.66 95.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -66.61 -46.41 75.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.38 -41.93 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.82 -41.17 83.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.06 91.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.68 -32.88 70.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 71.5 m -67.45 -34.06 76.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -103.73 -0.79 28.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.34 34.09 86.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.446 HD11 ' HA ' ' A' ' 112' ' ' VAL . 20.4 tt -156.32 132.36 5.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.708 0.766 . . . . 0.0 111.128 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 74.2 Cg_exo -54.97 147.62 51.54 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 -178.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -84.95 132.9 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.407 HG21 ' HB3' ' A' ' 155' ' ' ALA . 43.1 mm -109.25 133.23 55.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 -172.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -107.13 129.7 54.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.427 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 14.9 t -141.97 165.85 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 176.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.451 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 27.6 t -135.85 116.21 13.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 168.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.85 -22.34 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.121 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.426 ' HG2' HG21 ' A' ' 148' ' ' THR . 85.8 tttt -60.0 -62.85 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -174.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.426 HG21 ' HG2' ' A' ' 147' ' ' LYS . 77.0 p -130.17 -24.51 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.451 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 45.0 ttt85 -90.02 130.01 36.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -166.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -96.76 101.0 12.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.427 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -109.03 -8.55 27.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.74 -41.32 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -57.29 -44.3 83.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.29 -39.92 89.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . 0.407 ' HB3' HG21 ' A' ' 142' ' ' ILE . . . -63.76 -39.63 94.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 177.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -65.27 -42.74 92.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -62.76 -40.22 96.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.965 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 92.5 m -68.97 -40.01 79.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.78 -47.73 82.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.999 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.94 -32.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.198 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.22 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -69.96 -35.51 74.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.01 -46.55 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.94 -23.01 63.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -174.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -89.69 -50.08 6.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.962 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.2 m -89.26 127.06 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.14 140.31 53.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -115.08 130.46 56.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.937 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HD2' ' HB ' ' A' ' 74' ' ' THR . 99.3 mttt -112.08 104.88 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -176.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.3 tp -104.95 116.42 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.6 t -99.86 119.41 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.9 t -106.53 117.0 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.53 142.16 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.073 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.73 -166.79 36.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.95 119.24 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.141 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.09 153.01 30.33 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.86 5.84 83.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 175.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.2 t -101.79 -70.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.813 0.339 . . . . 0.0 111.154 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.54 54.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.555 170.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -70.43 -53.25 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.4 ' O ' HG12 ' A' ' 21' ' ' ILE . 85.7 p -68.17 -32.75 73.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.791 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 29' ' ' VAL . . . -63.09 -38.25 90.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.614 HD11 ' HA3' ' A' ' 151' ' ' GLY . 36.7 tp -67.58 -41.59 83.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.8 p -68.15 -17.47 64.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 17' ' ' SER . 37.5 mm -56.23 -30.04 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 3.2 tp-100 -56.57 -39.78 74.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.86 -38.68 37.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mm -80.74 -52.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 -171.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.573 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 93.0 mm-40 -107.08 -14.99 14.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -172.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.573 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.5 m-20 80.04 36.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 172.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -158.15 165.02 36.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 171.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.453 ' CZ ' ' HG2' ' A' ' 22' ' ' GLN . 73.9 m-85 -104.91 128.6 53.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -177.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 30.5 m -133.16 160.0 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.053 172.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -100.27 9.97 41.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -94.18 94.12 8.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -90.02 161.22 15.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.999 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.449 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 95.4 m-20 -66.61 149.97 97.78 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.522 0.677 . . . . 0.0 110.932 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -50.25 154.01 6.31 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.626 2.218 . . . . 0.0 112.392 173.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 m -46.42 -42.02 14.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.0 mt -108.1 107.09 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.15 172.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 33' ' ' ASP . 7.3 tp10 -170.02 153.29 4.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -178.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -82.51 169.98 15.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.402 ' HB3' ' HB2' ' A' ' 57' ' ' ASP . 78.8 p -111.16 174.27 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -112.23 152.6 28.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -162.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp85 -129.25 150.12 50.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.856 174.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -146.83 136.65 23.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -172.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -76.43 124.24 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 173.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.6 161.88 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -171.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -107.33 123.73 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 171.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.23 118.97 56.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 55.0 34.26 22.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -176.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.11 -3.06 87.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.506 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -97.27 122.09 39.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -79.31 124.98 28.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 177.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.6 p -152.88 171.18 18.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -172.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -105.7 120.95 42.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.3 tp -97.87 111.1 23.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -102.32 112.7 25.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.1 mt -104.75 117.98 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -104.82 110.67 23.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.402 ' HB2' ' HB3' ' A' ' 39' ' ' SER . 92.6 m-20 -100.0 128.09 46.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -176.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.8 p -94.64 160.66 14.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.52 133.14 27.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.2 -115.25 7.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.467 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -108.18 16.77 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -65.29 -31.52 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.7 pm0 -60.31 -20.88 60.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -172.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -94.92 87.87 5.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 174.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.9 p -165.15 163.08 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.53 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mmm -64.03 -37.11 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -79.84 -36.07 37.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.07 -39.3 71.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -55.52 -44.35 76.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -74.22 -35.56 63.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.0 mmm -66.27 -25.8 67.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -60.93 -33.36 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 5' ' ' LYS . 87.6 m -87.04 -50.02 6.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 176.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.609 ' HA3' HG23 ' A' ' 109' ' ' VAL . . . 73.6 39.71 48.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 166.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -61.65 -57.58 11.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.18 158.33 27.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 176.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -143.55 127.79 17.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.5 tp -110.43 121.02 44.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.964 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.0 t -105.59 115.86 30.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 178.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.57 123.67 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -170.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -110.6 152.84 25.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.7 135.87 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 164.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.5 pt -87.48 -13.83 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -170.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -94.87 -38.89 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 -177.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -88.3 103.62 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.4 m -58.93 -37.55 76.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.27 -27.41 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -174.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.1 m -60.56 -38.46 84.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -63.32 -43.69 97.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.815 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.29 -43.46 70.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.68 -42.25 95.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.0 -40.11 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -56.87 -43.92 81.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -64.96 -41.95 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -57.05 -40.93 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -62.67 -43.13 99.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.864 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.02 -38.77 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -65.9 -46.4 78.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.22 -41.58 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.92 -41.76 83.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.72 -35.12 79.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.39 -40.06 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -88.39 -12.86 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 62.29 25.64 15.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -175.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.2 t -179.1 147.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -121.93 110.76 16.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 171.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -129.96 36.26 4.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 171.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.609 HG23 ' HA3' ' A' ' 75' ' ' GLY . 80.8 t -119.41 121.52 30.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.697 0.761 . . . . 0.0 111.086 -174.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -68.64 136.61 36.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 27.8 ptm -138.83 153.47 48.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.1 t -125.02 136.27 61.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.468 HD13 ' HG ' ' A' ' 133' ' ' LEU . 31.5 mt -95.2 114.57 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -174.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.3 t -129.56 129.82 66.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.81 151.23 18.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 170.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -100.02 170.09 8.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 58.12 45.09 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 174.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.2 p -67.17 -17.58 64.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.914 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -93.44 0.63 56.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.1 tp -85.08 119.77 25.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.14 89.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.066 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.22 119.43 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -165.84 153.5 10.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.4 p -135.05 70.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.9 t -124.58 119.77 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -78.76 132.84 37.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.8 p -63.56 -31.86 73.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.97 -37.47 87.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -66.92 -42.78 84.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.0 94.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -65.11 -49.78 68.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.08 -35.31 79.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.468 ' HG ' HD13 ' A' ' 113' ' ' LEU . 55.1 tp -62.79 -46.03 89.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.21 94.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.21 -31.7 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 96.0 p -67.67 -29.9 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.783 -176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -109.49 -1.12 18.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -178.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.51 29.06 71.72 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.407 175.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 139' ' ' ILE . 4.3 tp -149.98 126.76 5.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.7 0.762 . . . . 0.0 111.122 -176.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 72.6 Cg_exo -54.83 145.01 63.69 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.287 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -94.6 125.82 39.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 48.1 pt -120.23 148.64 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.115 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -106.28 128.61 54.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 30.4 p -134.4 178.84 6.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.208 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.438 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 46.4 t -138.5 122.11 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 173.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.91 63.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.161 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -73.91 -52.15 13.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -166.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 66.6 p -129.38 -27.78 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.2 -171.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.438 ' HB2' ' H ' ' A' ' 145' ' ' SER . 40.0 mmt180 -88.24 151.26 22.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -164.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 116.42 10.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 176.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.614 ' HA3' HD11 ' A' ' 19' ' ' LEU . . . -125.58 -98.23 1.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 -172.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.469 ' HB ' ' HG ' ' A' ' 19' ' ' LEU . 13.3 p -53.55 -30.27 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 -173.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -56.26 -47.59 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.55 -41.67 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.52 93.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.89 -37.32 84.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -59.87 -40.94 90.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.3 m -62.03 -42.85 99.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.32 -46.39 83.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 32.7 m -73.25 -28.03 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.45 -39.66 94.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.84 -39.95 83.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.34 -45.89 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -70.51 -41.72 72.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.819 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -74.73 -35.03 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 174.746 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.4 m -92.46 123.59 35.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -125.61 145.03 50.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.845 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -118.54 111.54 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.001 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HD2' ' HB ' ' A' ' 74' ' ' THR . 96.9 mttt -94.14 100.11 12.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -175.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.1 tp -107.53 119.76 40.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.7 t -98.58 118.99 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.15 125.05 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.1 m -134.18 156.25 40.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.485 ' HA3' ' HB ' ' A' ' 81' ' ' VAL . . . -172.76 -177.1 41.86 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.66 136.91 50.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.094 -173.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.79 93.84 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.42 11.55 3.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 172.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -92.13 -65.96 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.04 72.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.491 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -73.96 -49.97 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 -170.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -65.11 -40.02 93.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.04 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.48 -38.07 88.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.454 ' HB ' HG21 ' A' ' 55' ' ' ILE . 76.0 p -65.15 -26.51 68.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -176.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.34 -27.88 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.519 ' HG3' ' HB2' ' A' ' 153' ' ' GLU . 34.3 tp60 -56.23 -32.76 64.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.39 -42.76 29.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mm -80.03 -56.82 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -166.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -113.15 -5.08 13.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 14.1 m120 68.36 48.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 175.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -159.97 147.46 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -176.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -103.99 120.89 42.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 173.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.03 154.28 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 -168.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -98.19 -21.14 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -81.05 82.69 6.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -73.38 142.15 46.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -169.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -69.85 153.58 95.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -60.4 156.47 40.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.7 m -45.66 -45.02 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.911 -174.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -101.02 126.87 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 175.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -159.55 154.85 25.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -75.28 170.03 16.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.6 p -83.45 170.2 14.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -122.05 145.63 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.86 147.24 51.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -150.95 134.62 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -73.9 124.95 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 53' ' ' LEU . 32.6 m -137.61 166.06 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 -175.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -107.69 122.57 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 171.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.45 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 87.8 mt -127.12 127.15 69.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 89.9 m-20 64.63 22.64 12.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -175.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.44 0.76 89.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -108.98 131.27 55.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.91 0.386 . . . . 0.0 110.85 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.4 m -68.6 129.22 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.196 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 p -153.76 174.95 13.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.1 tp -106.57 123.74 48.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.428 ' HB2' HG22 ' A' ' 44' ' ' VAL . 57.7 tp -94.24 118.07 31.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -108.12 116.4 31.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.454 HG21 ' HB ' ' A' ' 20' ' ' THR . 42.7 mm -100.77 117.85 46.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.491 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.3 tm? -100.01 115.46 29.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -102.69 132.6 48.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 174.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 p -80.79 158.0 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -144.78 86.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.26 -110.98 3.78 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -96.08 2.12 53.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -62.97 -32.08 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -59.42 -21.03 59.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -97.46 77.82 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.027 174.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -151.38 165.46 34.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.53 -32.44 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.7 mtp -64.37 -42.84 95.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -79.98 -24.25 41.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.35 -36.52 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -65.12 -43.44 91.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -63.85 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.6 tpp -68.46 -34.16 75.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.896 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -60.35 -36.3 77.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -175.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 5' ' ' LYS . 95.1 m -87.5 -53.31 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.212 173.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.31 29.98 75.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.479 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -44.06 -48.98 8.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -170.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.75 154.42 25.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.452 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -130.09 132.42 46.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.915 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 57.9 tp -110.18 126.41 54.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.7 m -105.63 124.4 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.485 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 95.6 t -106.71 134.12 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.47 ' HB2' HD11 ' A' ' 113' ' ' LEU . 92.9 t80 -123.22 138.76 54.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.81 134.17 42.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 175.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.1 tp -79.67 -20.05 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -98.87 -36.23 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -82.71 101.36 10.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.2 m -57.89 -36.37 72.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.17 -26.21 60.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.9 t -52.52 -37.42 57.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -175.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -59.58 -42.92 93.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.57 -37.02 86.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 87.1 m-20 -64.08 -48.65 75.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.9 pt -72.66 -25.61 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.6 -50.24 72.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 8.4 pt20 -70.09 -30.18 67.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -59.8 -45.4 92.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -62.27 -46.2 89.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.44 -38.82 88.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.51 -47.24 79.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.5 mt -56.15 -43.52 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.216 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.03 -45.12 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -65.61 -39.02 91.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -171.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.85 -39.6 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -95.85 -7.3 37.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 60.51 30.45 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 t -174.98 143.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -174.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -135.99 110.59 8.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 173.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -135.35 48.34 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 168.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.87 120.38 19.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 111.141 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.0 131.79 48.51 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 65.5 mtt -121.87 153.81 37.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.6 134.4 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 82' ' ' PHE . 37.9 tp -103.64 125.04 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 178.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 114' ' ' VAL . 8.5 p -119.33 125.02 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.06 137.42 13.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.555 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -94.69 156.74 16.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 99.4 mttt 46.49 50.8 12.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.5 p -68.94 -17.48 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -91.89 -3.85 55.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 117' ' ' LYS . 55.7 tp -65.13 130.43 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -89.63 -34.29 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.003 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.26 85.37 7.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.081 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -159.98 173.18 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 -175.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.2 p -125.09 24.37 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.136 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.39 133.52 52.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -85.41 129.6 34.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 167.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.5 p -62.21 -28.74 69.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -175.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.85 -38.34 90.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.934 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -68.73 -43.34 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.48 -34.92 73.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 177.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -64.74 -45.27 87.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -63.36 -33.74 76.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.86 -36.65 80.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.949 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.04 77.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 172.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.27 -32.48 73.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.5 p -67.62 -22.52 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.419 ' HB2' HG12 ' A' ' 139' ' ' ILE . 77.9 m-85 -99.18 -4.03 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.85 26.9 65.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.42 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.419 HG12 ' HB2' ' A' ' 137' ' ' TYR . 43.2 pt -125.17 153.4 71.66 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.68 0.752 . . . . 0.0 111.034 -174.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.29 151.67 54.66 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -118.77 129.39 55.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 73.0 mt -117.88 134.89 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.05 115.51 27.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 41.7 p -135.22 -179.78 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -154.04 118.16 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.809 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.09 -22.89 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.066 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -71.63 -50.87 26.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -171.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 80.7 p -125.12 -20.85 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 -171.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -105.72 172.34 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -170.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.82 132.59 33.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 166.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -115.23 -82.52 1.03 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -173.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.46 -39.95 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 111.119 -176.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.519 ' HB2' ' HG3' ' A' ' 22' ' ' GLN . 88.5 tt0 -56.87 -45.16 82.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -66.97 -41.93 86.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.66 85.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.33 -40.26 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -61.46 -40.11 93.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 98.1 m -66.96 -40.57 87.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.102 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.5 mt -59.33 -45.44 91.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.22 -45.03 99.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.05 -47.21 83.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -79.3 -48.0 14.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -174.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.0 -46.58 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 -172.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -71.59 -24.58 61.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -80.0 -60.01 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -177.566 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.889 0.376 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -96.96 117.93 32.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -142.62 120.44 11.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -119.74 142.33 48.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 175.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -103.64 112.21 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mp -116.55 132.48 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.717 HG22 ' HB3' ' A' ' 71' ' ' TYR . 53.0 t -119.41 132.5 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 178.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.9 t -98.26 119.91 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.64 165.71 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.4 -173.43 41.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.419 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.01 145.1 54.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 111.036 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.45 130.69 40.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.68 -21.46 40.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 175.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.63 -69.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 111.042 -172.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.94 69.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.444 174.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -50.01 12.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.7 m -72.77 -29.89 63.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.91 -39.2 68.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 tp -69.62 -45.33 68.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.9 p -65.76 -30.98 71.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.1 mm -75.95 -37.99 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 172.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 28.5 tp60 -63.99 -38.11 89.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.973 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.3 -48.19 20.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -88.58 -46.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -170.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 99.2 mm-40 -101.1 -9.12 21.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -174.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 96.3 m-20 68.65 34.27 3.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -135.67 149.42 49.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -112.96 105.3 13.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 174.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.22 160.6 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.198 -171.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -95.31 9.39 40.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -82.01 81.38 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -75.25 150.04 38.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.004 -170.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -75.6 151.01 84.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.83 -169.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.9 163.43 33.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.395 175.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.539 ' HB3' ' HA3' ' A' ' 60' ' ' GLY . 92.5 p -65.41 -15.09 62.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.81 129.9 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.184 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -48.67 110.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -133.73 74.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.7 p -78.61 158.86 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -127.03 159.84 32.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.91 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -123.96 138.13 54.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -141.27 132.72 26.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -172.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -108.79 130.13 55.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 175.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.06 159.36 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -173.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -109.76 123.21 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.2 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.415 HG23 ' HG2' ' A' ' 161' ' ' ARG . 82.4 mt -126.31 113.87 35.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -177.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.31 34.31 17.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.09 -0.06 88.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -96.05 134.34 39.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.855 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.8 m -83.31 122.46 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.181 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.0 m -128.46 141.24 51.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -177.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.4 tp -115.41 129.51 56.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.897 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 pp -137.22 149.87 47.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -102.23 133.85 46.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.4 mt -105.62 120.2 56.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.516 ' HB2' HG23 ' A' ' 7' ' ' VAL . 80.0 mt -103.89 125.67 50.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 176.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -92.39 163.36 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -177.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.8 m -111.47 130.56 55.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -170.3 141.14 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' ' 35' ' ' SER . . . 79.17 29.51 50.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 169.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -167.46 149.29 5.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.343 . . . . 0.0 110.843 175.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -75.38 -44.72 43.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.39 -60.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -171.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -169.09 142.75 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.985 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 t -99.87 -162.62 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 168.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.31 -34.95 77.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.7 mtp -65.01 -42.55 94.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.3 -22.3 30.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -174.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.35 -27.16 69.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -62.33 -51.38 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -174.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.717 ' HB3' HG22 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -68.06 -27.02 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -177.572 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.1 mtp -64.49 -37.42 87.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 172.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -69.68 -43.04 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.9 p -94.73 -54.06 3.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -171.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.467 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 81.73 23.27 58.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -176.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.57 -44.5 93.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.985 0.421 . . . . 0.0 110.887 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.02 145.13 4.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -155.73 152.35 28.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.419 . . . . 0.0 110.827 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.0 tp -102.1 128.54 48.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 -176.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.49 113.55 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.1 m -114.91 138.53 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -140.95 161.54 37.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.76 132.23 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.6 tp -74.86 -19.89 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.15 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -91.5 -17.92 24.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -175.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -91.86 113.55 25.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.9 m -68.42 -44.38 75.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.65 -34.72 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -173.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.9 m -61.51 -38.84 88.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.004 0.43 . . . . 0.0 110.847 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -60.28 -41.5 93.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -71.16 -38.68 72.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.19 -40.63 94.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.833 -171.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.7 pt -67.37 -32.42 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -65.91 -48.8 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 174.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.429 HE21 ' HB2' ' A' ' 95' ' ' GLN . 16.8 mt-30 -63.22 -43.05 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.49 -48.75 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -60.73 -45.02 95.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.904 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.95 -35.96 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -68.8 -52.62 28.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -175.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.1 pt -62.36 -31.67 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.68 -44.54 96.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.27 -36.83 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.01 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -94.98 2.16 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 47.95 45.07 19.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.7 m -113.49 161.27 17.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -170.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -85.3 -175.13 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -70.41 119.86 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.467 HG11 ' HA3' ' A' ' 75' ' ' GLY . 30.9 m -112.49 158.94 35.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.089 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -54.45 128.44 30.15 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 -177.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 66.1 ttp -152.1 152.07 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.9 t -124.89 131.19 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.131 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.4 tp -105.23 122.12 45.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -174.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.3 128.49 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 -173.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.24 133.59 11.37 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.5 170.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -95.38 175.07 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 -173.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 47.15 47.42 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 173.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 25.3 p -73.48 -7.83 53.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -96.69 -7.06 35.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 175.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.6 tp -74.84 128.43 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.52 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.92 88.17 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -128.32 169.12 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 10.9 t -84.4 -166.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 168.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.8 p -40.05 136.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.17 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -52.77 153.65 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -163.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.5 p -63.04 -18.2 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -60.27 -33.95 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.93 -39.8 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.85 78.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -61.6 -47.01 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.54 -35.88 80.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.93 -43.72 91.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 176.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.31 86.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 175.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.43 -37.37 86.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.3 p -66.67 -23.59 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.471 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.8 m-30 -93.19 -6.88 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 178.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.26 28.79 67.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.515 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.474 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 46.0 pt -127.41 160.06 62.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 111.093 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.474 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 77.6 Cg_endo -72.58 150.79 51.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.365 175.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -116.48 134.08 55.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 42.8 mm -109.84 128.28 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -106.28 122.7 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 171.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.589 HG22 ' HA3' ' A' ' 151' ' ' GLY . 14.6 t -143.52 176.12 9.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.05 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.464 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 24.7 t -122.21 117.37 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 172.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.05 -26.88 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -176.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -89.53 -52.43 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -174.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 77.3 p -106.21 -19.38 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 -162.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.464 ' HB2' ' H ' ' A' ' 145' ' ' SER . 88.1 mtt-85 -119.77 160.63 22.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 -171.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -89.95 111.06 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 170.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.589 ' HA3' HG22 ' A' ' 144' ' ' THR . . . -111.08 -74.58 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 -172.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.73 -32.37 42.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 111.174 -169.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.08 -46.78 87.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -69.2 -35.48 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.61 91.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.79 -42.45 97.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -61.39 -38.97 88.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 177.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.4 m -65.13 -43.81 90.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.129 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.77 -48.81 78.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.927 -174.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.36 -34.94 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.049 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.415 ' HG2' HG23 ' A' ' 46' ' ' ILE . 99.7 mtt180 -64.84 -42.0 95.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -68.83 -36.83 78.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -66.93 -44.4 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.031 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -66.86 -33.41 75.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -76.25 -59.85 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -178.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.1 m -100.55 127.79 46.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -111.86 133.85 53.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -122.42 143.72 49.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 173.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.92 109.4 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -106.74 119.08 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.0 t -118.16 118.8 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -96.56 126.59 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -175.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 m -129.35 164.56 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.202 -170.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 81' ' ' VAL . . . 145.72 -174.44 25.7 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.23 141.52 54.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.063 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.09 134.23 36.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.474 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.53 -1.36 64.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 175.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.4 t -86.88 -64.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.102 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.01 66.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -48.35 14.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 168.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -66.13 -31.88 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.796 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.15 -39.12 63.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 -170.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.97 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.906 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -60.98 -39.97 91.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.43 -42.43 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.448 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 1.5 tm0? -65.12 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.83 -49.87 34.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.1 mm -83.03 -41.82 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 -171.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -109.94 -27.77 9.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.998 -172.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER 70.11 40.62 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.31 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -129.82 157.22 42.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -110.93 100.16 8.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.8 m -135.17 165.9 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -95.05 10.01 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.56 79.07 9.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -82.15 159.62 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -170.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -64.58 149.62 95.15 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.727 . . . . 0.0 110.807 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.81 159.47 51.29 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 176.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -64.94 -15.09 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.23 129.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.97 108.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -142.83 98.09 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.7 p -80.93 154.98 26.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -128.6 161.23 30.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.97 143.26 50.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -147.82 130.01 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -94.47 127.0 40.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 174.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -136.82 164.88 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -99.51 119.7 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 174.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.4 mt -126.18 123.63 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t0 60.51 31.14 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -176.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.4 -0.37 89.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -109.96 128.96 55.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.944 0.402 . . . . 0.0 110.799 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.3 m -74.48 128.56 35.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.16 167.83 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.2 tp -112.68 134.61 54.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.888 ' O ' HD12 ' A' ' 53' ' ' LEU . 2.8 pp -124.6 145.33 49.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 177.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -98.0 135.66 39.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 177.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.0 mt -105.91 115.05 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 -172.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.6 mt -120.15 116.51 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -94.2 133.15 38.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.407 HG22 ' HG3' ' A' ' 68' ' ' ARG . 30.4 p -112.21 157.56 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.99 138.41 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.94 51.6 18.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 167.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -116.09 147.43 41.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.18 -53.13 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -119.95 -55.78 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -168.51 149.14 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.7 p -86.62 175.94 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.9 -32.72 73.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 168.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 67.6 mtt -68.13 -41.79 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' HG3' HG22 ' A' ' 58' ' ' THR . 99.7 mtt180 -67.75 -35.47 78.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 178.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -61.38 -34.54 75.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -62.58 -50.82 69.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -175.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -72.53 -27.01 61.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -177.356 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 86.3 mtp -65.28 -39.28 92.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 170.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -72.26 -39.73 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.888 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -90.45 -55.11 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.097 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.73 24.76 37.45 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.428 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -67.99 -41.03 82.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.97 0.414 . . . . 0.0 110.79 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.1 157.12 8.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.549 174.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -153.58 149.82 28.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.3 tp -104.21 127.91 51.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.0 t -111.55 115.67 29.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.453 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 21.4 m -114.6 143.43 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -141.07 163.51 32.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.54 130.78 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.617 ' O ' HG23 ' A' ' 124' ' ' THR . 8.8 tp -69.89 -17.04 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -174.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -91.54 -15.67 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -86.19 116.85 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.1 m -67.67 -41.26 84.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.096 -178.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -75.19 -28.08 59.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.857 -167.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -63.15 -57.69 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -164.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -68.9 -27.89 66.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.935 -175.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.55 -43.77 75.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.89 -35.07 77.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.89 -39.94 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -54.71 -45.23 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -65.3 -43.17 91.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -60.31 -39.59 87.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.403 ' HD3' ' SD ' ' A' ' 111' ' ' MET . 23.6 tpt180 -59.99 -47.26 86.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -176.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -69.71 -36.31 75.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.65 -53.64 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -172.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.2 pt -63.46 -31.84 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.045 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.72 -45.68 91.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 176.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -71.28 -37.47 71.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.7 t -63.13 -40.22 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -94.96 0.73 54.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 49.17 44.92 23.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.856 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.3 m -120.03 171.52 8.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -170.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -84.57 -175.85 5.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.83 139.68 55.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.64 156.49 61.42 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 111.113 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -55.14 121.05 9.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.285 -175.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.403 ' SD ' ' HD3' ' A' ' 97' ' ' ARG . 21.3 ttt -145.63 142.35 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.1 t -129.35 133.78 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 169.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -102.98 118.41 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.7 t -122.46 128.02 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -174.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.22 143.17 15.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 171.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -92.58 174.03 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.883 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 98.2 mttt 55.9 64.84 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 170.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.25 -15.07 60.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -101.37 4.68 41.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.509 ' HB2' ' HB3' ' A' ' 117' ' ' LYS . 55.4 tp -75.54 132.71 40.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.89 -36.92 18.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.58 75.75 10.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -117.44 171.68 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 84' ' ' ILE . 14.5 t -80.06 -167.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.212 175.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 79.5 t -43.29 141.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.147 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -47.01 150.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 -166.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.8 p -62.26 -18.91 62.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.38 -31.6 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.47 -47.88 79.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.24 -34.89 78.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.02 -42.72 99.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -68.92 -36.01 77.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 133' ' ' LEU . 0.6 OUTLIER -65.46 -36.83 85.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 175.828 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.39 -36.13 78.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 170.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -65.08 -33.81 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 56.6 p -64.23 -24.85 67.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -175.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -106.43 -0.07 24.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.6 33.62 67.27 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.409 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 46.8 pt -112.45 148.88 40.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 0.0 111.126 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 51.9 Cg_exo -58.66 142.64 98.65 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -123.67 130.02 52.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 88.1 mt -123.53 126.7 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -101.95 110.34 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 171.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.2 t -151.43 -174.46 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 -172.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.5 m -129.92 124.92 34.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 171.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.51 -30.88 71.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -87.01 -49.31 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -170.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.1 p -107.08 -15.7 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.126 -164.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -116.5 158.54 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -74.01 91.27 2.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 173.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -111.11 -74.99 0.77 Allowed Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.455 -171.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.8 m -60.09 -30.77 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 0.0 111.099 -168.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.76 -49.8 76.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.84 -35.66 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.85 95.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -65.05 -39.75 93.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -62.02 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.7 p -71.65 -30.83 66.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 53.7 tp -64.48 -42.63 95.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.8 t -61.59 -40.08 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.044 174.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.04 -38.36 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -69.37 -38.57 78.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.27 -45.01 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -68.03 -25.57 65.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -75.39 -48.06 24.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.965 175.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.7 mtm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.893 0.377 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -81.35 129.72 34.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -87.22 127.43 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.655 ' OH ' ' HA3' ' A' ' 77' ' ' GLY . 63.1 t80 -117.15 127.78 54.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -94.83 99.86 11.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.456 HD21 HG12 ' A' ' 55' ' ' ILE . 64.1 tp -102.92 117.64 35.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -176.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.09 131.47 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -78.83 125.03 38.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.39 139.91 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 81' ' ' VAL . . . 128.36 166.03 11.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.445 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.21 146.19 28.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.81 0.338 . . . . 0.0 111.114 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.97 -163.52 34.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.27 -4.74 25.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.91 -62.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.949 0.405 . . . . 0.0 111.221 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.03 70.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.31 -34.22 77.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 t -61.71 -43.01 99.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 177.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . . . -57.77 -42.99 85.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.111 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.419 HD23 ' HB ' ' A' ' 152' ' ' VAL . 93.0 mt -63.78 -41.9 97.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -176.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.9 p -73.88 -34.26 64.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.0 mt -66.6 -42.75 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 25.2 mt-30 -65.25 -32.47 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -62.45 -50.32 71.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.418 HG13 ' HG2' ' A' ' 25' ' ' GLN . 50.0 pt -80.03 -20.02 12.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -172.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.5 mm-40 -100.67 -27.64 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 65.01 31.99 10.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 98.4 m-70 -129.26 175.26 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -99.04 118.38 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.8 t -126.4 125.66 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 -167.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -104.05 -29.45 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.08 85.3 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 18' ' ' ALA . 41.7 p90 -101.03 170.44 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -174.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -71.85 151.43 93.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.598 0.713 . . . . 0.0 110.922 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 36' ' ' ILE . 37.2 Cg_endo -61.59 156.45 47.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.393 176.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 t -63.3 77.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' PRO . 48.4 pt -134.09 162.06 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.29 103.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 175.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -155.04 102.0 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -176.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -90.35 153.44 20.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -126.03 143.22 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.88 142.92 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -140.28 131.29 26.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -78.6 124.43 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.7 t -136.62 146.94 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -98.78 124.13 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 171.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.436 HG12 HG13 ' A' ' 160' ' ' VAL . 77.5 mt -123.97 118.56 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.13 30.29 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.71 -4.38 84.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.505 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.58 123.47 44.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.929 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -74.18 127.54 33.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.231 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 p -145.85 167.7 22.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.913 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -114.86 119.69 37.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.9 mp -94.11 118.83 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -99.37 117.72 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.456 HG12 HD21 ' A' ' 6' ' ' LEU . 82.2 mt -89.02 118.69 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 -177.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' HB2' ' A' ' 71' ' ' TYR . 40.0 mt -101.74 114.96 29.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -165.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -97.64 154.43 17.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.3 t -76.55 151.66 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -146.46 139.61 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.2 -102.69 1.49 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -75.46 158.33 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 111.002 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.06 -44.93 75.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -100.5 -29.96 12.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -173.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.34 129.52 47.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -175.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.572 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 27.5 t -160.76 138.77 9.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.84 -31.42 72.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 170.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 62.5 tpp -79.96 -44.56 20.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.789 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 77.6 ttt-85 -91.18 -62.37 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -172.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.76 -49.1 67.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -169.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -54.04 -42.44 69.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.943 -176.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.465 ' HB2' HD13 ' A' ' 56' ' ' LEU . 68.1 m-85 -78.84 -34.84 44.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.866 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 58.5 ttp -56.51 -30.74 63.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -59.83 -28.05 67.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -177.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.6 m -69.88 -42.25 73.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.53 31.69 26.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 170.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.4 -59.5 5.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.655 ' HA3' ' OH ' ' A' ' 4' ' ' TYR . . . -171.67 170.32 43.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 174.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -149.89 148.14 28.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 110.877 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.96 126.7 54.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.7 m -91.06 111.65 23.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -172.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.496 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 92.7 t -117.66 132.31 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.405 ' HB2' HD11 ' A' ' 113' ' ' LEU . 53.6 t80 -102.87 134.77 45.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -175.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.76 145.51 47.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.7 mt -73.64 -32.0 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -167.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -109.97 -29.9 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -174.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -80.3 99.85 8.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -171.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.9 m -61.27 -36.83 81.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.89 -18.72 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -54.02 -35.97 62.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -56.02 -44.44 78.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -68.07 -44.73 75.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.6 -35.94 82.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.77 -44.22 99.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 137' ' ' TYR . 81.6 t60 -60.0 -47.1 87.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 176.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 95' ' ' GLN . 17.7 mt-30 -62.84 -44.15 96.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.999 -177.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -62.44 -37.79 87.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -62.4 -42.55 99.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 175.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -65.15 -38.13 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -66.52 -45.28 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.418 ' HA ' HG23 ' A' ' 103' ' ' VAL . 93.6 mt -62.45 -39.89 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.071 175.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -56.02 -39.0 71.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -68.78 -52.57 28.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 100' ' ' ILE . 26.7 m -74.95 -24.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -167.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -72.44 -17.31 61.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -171.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 43.1 44.7 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 172.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.5 p -157.27 -178.85 7.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -71.93 166.05 22.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -84.78 134.7 34.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -174.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.8 t -110.66 130.07 23.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.62 134.58 41.63 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.409 -178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 26.2 mmt -129.93 154.44 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -176.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.8 t -127.63 132.31 69.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.102 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 82' ' ' PHE . 56.2 tp -97.79 122.18 40.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.983 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.34 129.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -119.07 167.67 13.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.442 174.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 144' ' ' THR . 71.7 m-80 -106.5 156.74 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.889 0.376 . . . . 0.0 110.913 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -117.84 -58.2 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.8 m -91.28 4.2 52.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.897 -169.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -86.04 -10.2 55.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -176.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.3 tp -152.97 130.4 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.86 79.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.42 96.94 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 176.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 92.4 mtm180 -100.37 149.94 23.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -175.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.8 t -81.78 -168.67 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 33.6 m -58.52 160.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 -178.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -47.82 147.84 1.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.7 p -64.86 -26.57 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -172.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.12 -44.37 95.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -75.32 -41.11 57.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.78 80.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -61.23 -49.06 78.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.95 -36.15 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.95 -44.97 94.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.4 93.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.87 -34.42 78.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 77.8 p -67.02 -22.43 65.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.618 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 45.8 m-85 -101.14 5.08 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.17 12.28 57.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 165.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.5 mt -129.87 129.98 23.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.71 0.766 . . . . 0.0 111.078 -176.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.78 148.29 76.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -121.7 129.97 53.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -171.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 92.9 mt -123.5 134.93 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -104.44 128.78 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 14.6 t -143.75 -170.35 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.102 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.3 t -134.91 107.6 7.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 169.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.59 -24.88 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -169.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.16 -38.78 20.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -171.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.9 p -109.52 -19.0 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -170.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -136.75 179.09 6.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -177.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -65.16 115.74 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 174.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.403 ' HA2' HG22 ' A' ' 144' ' ' THR . . . -129.54 -104.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -173.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.419 ' HB ' HD23 ' A' ' 19' ' ' LEU . 11.6 p -56.21 -29.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.805 0.336 . . . . 0.0 111.15 -176.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.6 -43.35 80.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -67.62 -40.3 84.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.8 96.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -67.32 -45.29 76.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -68.44 -36.92 79.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 59.9 m -62.37 -42.75 99.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 174.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.37 -46.29 83.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.436 HG13 HG12 ' A' ' 46' ' ' ILE . 55.5 t -59.56 -41.45 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 177.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.27 -38.69 92.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -69.4 -35.73 76.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -65.73 -48.33 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.171 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -69.65 -22.83 63.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -75.82 -59.93 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 178.282 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 ttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 99.5 m -88.59 121.02 30.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -100.1 132.25 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -176.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.712 ' OH ' ' HA3' ' A' ' 77' ' ' GLY . 82.2 t80 -127.98 129.91 47.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -95.0 113.6 25.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -108.33 118.01 35.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.96 134.52 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.049 -176.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.79 121.21 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 98.5 t -135.04 145.89 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.09 -157.27 22.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.531 173.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.86 144.97 43.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 -176.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.04 -178.38 29.09 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.73 -44.42 1.84 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.413 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.13 -58.19 8.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.88 0.371 . . . . 0.0 111.155 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.484 ' HA3' ' HB1' ' A' ' 18' ' ' ALA . . . 164.99 72.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.478 174.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -57.12 -47.88 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.931 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -75.83 -36.66 59.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' HB1' ' HA3' ' A' ' 15' ' ' GLY . . . -62.92 -41.82 99.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -174.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.23 -36.57 79.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.4 m -61.09 -43.13 99.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 171.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.72 -40.0 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 176.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 7.8 tt0 -62.95 -36.89 84.95 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -64.98 -50.02 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.68 HG13 ' HG2' ' A' ' 25' ' ' GLN . 38.9 pt -87.97 -21.18 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.155 -166.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.68 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.2 mm-40 -114.06 -17.58 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.0 m-20 70.15 20.12 6.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 -175.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -137.39 141.9 41.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -98.94 121.07 40.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.53 124.95 69.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.08 -174.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.97 -38.21 76.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -90.02 79.93 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -94.79 168.14 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -172.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -70.66 146.39 93.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -170.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.93 157.07 63.41 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -64.28 76.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 pt -124.94 159.46 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.163 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.1 99.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -159.63 100.25 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -176.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.1 p -81.76 152.42 27.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -125.1 145.0 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -122.56 140.32 52.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -175.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -146.68 124.25 11.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 173.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -78.21 124.13 27.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.513 HG21 ' SG ' ' A' ' 51' ' ' CYS . 27.2 m -136.81 163.31 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.1 t -116.19 129.55 72.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.8 mt -123.53 119.51 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t0 55.72 35.12 24.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.2 -0.04 88.18 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -102.16 130.41 48.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.941 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.0 m -71.93 127.13 31.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.513 ' SG ' HG21 ' A' ' 44' ' ' VAL . 26.8 p -147.04 165.1 30.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.8 tp -113.06 126.95 56.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.1 tp -91.99 111.09 22.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -105.0 108.95 20.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.8 mt -96.29 124.9 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.5 mt -116.17 111.92 20.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -170.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -94.01 161.72 14.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -72.82 150.02 43.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.12 128.88 48.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.02 -106.31 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -85.04 159.13 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.656 0.265 . . . . 0.0 110.991 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.11 -49.07 71.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -172.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -98.1 -38.9 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -174.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -96.68 110.3 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.926 -174.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.797 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 40.1 t -156.29 139.96 16.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -175.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.33 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 169.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ttt -77.09 -51.17 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.797 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 78.0 ttt-85 -63.58 -50.01 71.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -173.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -72.05 -35.01 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -170.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -64.96 -48.3 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -74.67 -32.08 62.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.957 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.9 mtp -64.57 -34.77 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 170.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -65.07 -32.73 74.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.9 m -67.98 -47.17 69.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.79 24.72 61.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 165.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -54.43 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.712 ' HA3' ' OH ' ' A' ' 4' ' ' TYR . . . -174.07 161.7 32.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 174.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -149.95 146.82 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.891 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.1 tp -107.06 127.65 53.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.48 ' HB2' ' HA ' ' A' ' 113' ' ' LEU . 73.5 m -92.2 130.91 37.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -171.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.84 130.45 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.503 ' HB2' HD11 ' A' ' 113' ' ' LEU . 53.9 t80 -111.5 136.87 50.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.04 149.37 39.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.053 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.443 HG21 ' HB3' ' A' ' 120' ' ' LEU . 95.7 mt -69.3 -36.9 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -168.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.05 -29.96 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -80.75 100.03 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -171.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.4 m -61.24 -36.79 80.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.49 -20.59 64.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -174.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 m -55.98 -32.24 63.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -55.09 -44.26 74.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.75 -43.02 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.32 -38.53 91.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.5 mt -66.07 -40.51 87.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 177.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -58.38 -44.19 88.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.795 174.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 95' ' ' GLN . 17.3 mt-30 -62.18 -41.47 98.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 178.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -58.28 -42.64 87.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 176.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -63.61 -43.81 95.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.85 -37.52 87.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -67.53 -47.13 70.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.436 ' HA ' HG23 ' A' ' 103' ' ' VAL . 93.5 mt -59.97 -40.88 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 175.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 88.6 tttt -56.65 -39.23 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -176.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -70.75 -51.17 28.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 100' ' ' ILE . 32.5 m -74.93 -24.26 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -167.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.42 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 58.2 pttt -73.0 -17.33 61.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -172.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 42.57 44.54 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 173.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.1 p -155.43 -177.33 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 47.8 p30 -79.96 -176.43 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.897 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -65.64 139.95 58.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -174.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.403 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 34.8 m -117.41 156.51 48.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -176.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 42.1 Cg_endo -65.9 126.42 15.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.617 2.212 . . . . 0.0 112.372 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 66.5 mtm -135.03 135.02 41.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.64 137.13 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 172.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.507 ' HB2' HD13 ' A' ' 139' ' ' ILE . 59.3 tp -103.77 127.1 51.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.5 p -118.49 134.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.36 157.0 27.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.53 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 144' ' ' THR . 70.8 m-80 -106.1 157.78 17.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 -176.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -130.06 -51.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.4 m -86.83 6.26 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -170.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -86.46 -15.17 41.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.443 ' HB3' HG21 ' A' ' 84' ' ' ILE . 58.3 tp -153.53 130.52 11.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -177.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.42 77.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.91 104.34 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 172.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -118.13 159.79 22.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -170.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.3 t -80.16 -169.76 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.11 163.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -43.85 148.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -175.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.9 m -60.08 -38.72 83.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 -172.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.45 -42.81 98.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -70.85 -42.13 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.9 94.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -63.69 -45.4 90.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.986 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.82 -36.03 78.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.18 -45.02 95.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.97 -44.29 89.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -66.23 -37.71 86.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -175.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.0 p -68.11 -23.48 64.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -93.89 -2.14 53.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.24 13.07 27.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 163.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.507 HD13 ' HB2' ' A' ' 113' ' ' LEU . 22.9 pt -136.73 142.91 40.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 111.084 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.85 144.2 21.53 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.402 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -111.89 129.1 56.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.913 -173.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 87.2 mt -119.96 129.91 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.83 127.23 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 68.6 p -132.43 172.44 12.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.139 -174.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -130.94 99.88 5.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 165.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.42 -29.54 68.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -169.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -80.13 -31.81 39.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -169.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 60.7 p -105.87 -25.42 12.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -140.05 177.32 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -80.69 115.7 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 171.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.96 -75.05 0.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -172.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.67 -29.52 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.55 -47.37 82.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -67.72 -39.02 84.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.928 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.98 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.196 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -64.74 -40.48 95.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -60.2 -37.65 80.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 89.8 m -63.58 -41.47 98.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 170.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.17 -38.6 89.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 176.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.3 t -59.33 -45.0 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.88 -38.46 90.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -69.26 -37.5 77.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.51 -44.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.042 175.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -65.75 -32.76 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -62.13 -52.43 63.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 178.669 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -106.71 122.6 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.45 140.2 52.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -119.38 132.61 55.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -100.89 101.18 11.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' C ' HD21 ' A' ' 6' ' ' LEU . 7.3 tt -116.1 120.28 38.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -169.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -102.37 124.96 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.06 135.64 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.64 151.61 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 173.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.65 171.75 27.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -170.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.13 160.74 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -172.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.88 152.14 26.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.553 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.405 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -74.87 -16.77 80.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -101.22 16.73 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 111.159 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.86 -135.8 8.17 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.534 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -56.69 -28.56 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.6 t -63.29 -53.45 52.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.98 78.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.164 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.99 -41.28 99.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -69.11 -45.1 71.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.59 -43.79 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 -172.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -67.9 -28.7 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -73.67 -45.0 55.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.483 HG13 ' HG2' ' A' ' 25' ' ' GLN . 42.4 pt -78.47 -19.78 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -175.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.3 mm-40 -105.57 -22.52 12.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.99 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.8 m-20 68.16 14.91 9.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -175.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -139.93 150.77 44.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -83.06 120.33 25.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.3 t -112.45 124.64 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -174.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -83.07 -34.58 26.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -89.76 80.65 6.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.405 ' CZ ' ' HA3' ' A' ' 13' ' ' GLY . 44.7 p90 -79.74 179.11 7.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -173.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.485 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 2.8 p30 -63.78 158.59 59.87 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.636 0.731 . . . . 0.0 110.865 -172.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 36.4 Cg_endo -64.41 164.43 23.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 0.0 112.307 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.9 p -70.08 -5.21 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -176.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.7 mt -75.37 129.4 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 172.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -40.39 133.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -154.66 104.95 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.822 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.8 m -99.71 161.38 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -130.42 152.61 49.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -168.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.87 143.18 49.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 168.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -148.39 130.19 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -79.05 126.79 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.966 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.02 156.92 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -172.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.5 t -107.33 118.15 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -130.59 124.16 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 60.72 27.02 16.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -173.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.68 -0.03 89.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -104.25 128.71 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.858 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.3 m -86.95 127.49 35.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -149.98 170.37 19.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.2 tp -99.18 120.22 39.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.5 tp -105.44 118.95 37.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -97.41 113.05 24.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mm -100.22 114.96 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 -175.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.08 113.65 25.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -116.96 139.49 50.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.6 m -106.65 135.7 47.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.83 130.56 13.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 174.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.49 -25.44 24.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -107.31 146.05 32.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.972 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.5 -52.73 10.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -129.95 -30.32 2.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -68.9 128.17 35.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -169.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.5 t -155.85 123.28 5.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 165.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.49 85.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.8 mtp -80.4 -48.31 13.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -65.34 -41.45 93.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -170.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -63.08 -37.46 87.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -64.31 -43.3 95.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -65.62 -33.6 76.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.9 mmm -64.78 -36.52 84.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.75 -29.98 70.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.8 p -85.96 -30.94 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.483 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 70.89 28.91 69.85 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.431 171.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -60.5 -60.15 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 110.873 -173.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 151.88 23.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.416 ' HB3' ' HG2' ' A' ' 111' ' ' MET . 67.4 t80 -146.16 126.5 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -170.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 87.1 mt -111.21 131.88 54.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 170.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.5 t -109.76 114.5 28.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.2 t -103.33 131.6 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.408 ' HB3' HG21 ' A' ' 93' ' ' ILE . 28.4 p90 -136.92 164.09 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -99.52 134.81 41.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 177.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.93 -30.16 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -87.85 -14.4 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.466 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 41.9 t-20 -90.72 114.8 27.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.9 m -65.9 -44.48 85.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.0 -28.05 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.3 t -59.8 -36.25 76.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -65.34 -38.4 90.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 176.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.58 -35.38 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.24 -44.93 90.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.408 HG21 ' HB3' ' A' ' 82' ' ' PHE . 44.5 pt -71.02 -26.41 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 -177.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.52 -46.81 86.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.811 171.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HB2' HE21 ' A' ' 95' ' ' GLN . 15.9 mt-30 -66.1 -43.01 88.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -59.47 -40.99 88.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.1 tpt85 -53.77 -44.27 69.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.09 -36.88 64.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.544 ' O ' HG21 ' A' ' 103' ' ' VAL . 27.9 tt0 -67.97 -52.69 33.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -173.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.8 pt -64.64 -27.42 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.21 -174.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.22 -43.77 92.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.06 -35.66 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.876 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.544 HG21 ' O ' ' A' ' 99' ' ' GLN . 64.5 t -63.11 -38.92 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -173.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -74.56 -13.4 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.811 -173.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 45.39 43.96 8.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.0 t -156.16 -170.98 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -176.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -77.24 -179.12 5.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -66.92 116.27 7.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -177.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.483 HG11 ' HA3' ' A' ' 75' ' ' GLY . 33.7 m -107.59 159.86 28.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.608 0.718 . . . . 0.0 111.151 -178.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -54.98 124.01 15.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.277 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.416 ' HG2' ' HB3' ' A' ' 78' ' ' PHE . 65.9 mtt -133.38 150.69 51.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 175.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.435 ' HB ' ' CD2' ' A' ' 79' ' ' LEU . 84.3 t -132.79 136.16 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.197 173.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' A' ' 134' ' ' ALA . 51.5 tp -101.02 121.94 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.95 127.87 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 -169.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.65 138.97 14.16 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.507 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -98.44 169.96 9.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.379 . . . . 0.0 110.884 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 54.78 41.39 31.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 173.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.0 m -75.19 -7.0 52.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -94.66 2.12 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 173.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.9 tp -74.34 125.76 29.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.67 84.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -85.65 56.52 4.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 -101.49 90.65 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 174.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 42.4 p -82.5 57.78 3.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 90.5 t -139.46 128.23 28.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.252 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.67 125.44 26.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.0 p -62.91 -29.51 70.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.73 -38.07 89.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.838 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -69.61 -43.46 72.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.045 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -68.29 -48.18 65.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.93 -33.9 76.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.48 -44.07 92.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 139' ' ' ILE . . . -62.15 -39.84 93.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 172.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.65 -32.23 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.886 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.0 p -67.54 -20.64 65.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -99.36 -0.92 40.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.2 24.8 70.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.558 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 92.9 mt -124.73 131.35 24.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.697 . . . . 0.0 111.193 -172.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -65.83 151.01 85.44 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -112.23 127.44 55.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -172.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 39.7 mm -122.39 138.08 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -101.17 127.56 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.499 ' CB ' ' HA3' ' A' ' 151' ' ' GLY . 6.8 t -137.13 174.5 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.484 ' HB3' ' H ' ' A' ' 149' ' ' ARG . 14.0 t -145.15 129.8 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 170.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.54 -19.39 64.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 170.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -92.84 -61.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -168.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 72.7 p -133.41 -44.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.22 -166.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.484 ' H ' ' HB3' ' A' ' 145' ' ' SER . 72.2 ttt180 -90.16 133.06 35.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -169.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -84.99 126.87 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.499 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -137.64 -51.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 59.9 t -52.3 -36.53 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.32 . . . . 0.0 111.095 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.35 -42.84 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -68.1 -35.51 78.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 176.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -59.01 -45.64 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 173.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -65.16 -45.42 85.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.5 m -68.42 -47.26 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 68.5 tp -63.13 -49.48 74.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.02 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.401 ' HA ' HD13 ' A' ' 163' ' ' ILE . 52.8 t -64.47 -39.26 84.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -57.49 -43.74 84.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 173.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.04 -33.44 73.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 160' ' ' VAL . 81.1 mt -63.9 -44.54 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 55.4 tpt85 -74.28 -30.02 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -79.96 -60.02 2.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.979 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.74 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.5 m -98.9 117.46 33.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -128.38 138.3 52.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -119.96 123.48 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 175.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -95.73 100.29 12.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -111.82 128.49 56.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.956 -167.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -95.23 121.01 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -172.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -109.02 134.44 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.102 -175.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.4 t -128.0 141.97 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.16 166.71 36.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.65 149.75 49.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.193 -172.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.03 -179.74 41.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.04 1.42 84.86 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.87 3.93 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.932 0.396 . . . . 0.0 111.067 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.22 -139.56 10.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.3 -18.26 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.967 -178.506 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.8 m -58.14 -49.37 77.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.41 -41.21 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 63.2 mt -64.88 -42.78 94.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -171.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -67.29 -44.71 78.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.1 mt -69.0 -41.17 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.045 -174.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.6 pp0? -67.93 -27.23 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -171.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD23 ' HB ' ' A' ' 152' ' ' VAL . 64.9 tp -72.55 -47.93 44.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.977 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.526 HG13 ' HG2' ' A' ' 25' ' ' GLN . 45.2 pt -78.36 -19.52 13.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.072 -173.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.526 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.4 mm-40 -106.78 -24.28 12.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.9 m-20 68.98 17.66 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -174.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 79.9 m80 -138.26 150.13 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -83.87 117.17 23.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -177.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.4 t -123.38 126.82 73.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 -173.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -92.67 -18.82 22.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -88.6 87.84 7.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.79 146.31 54.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.557 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 39.2 p30 -64.27 171.38 2.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.482 0.658 . . . . 0.0 110.889 -175.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.557 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 83.1 Cg_exo -52.32 155.6 9.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.616 2.211 . . . . 0.0 112.325 -176.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.7 p -74.32 -4.17 34.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -170.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.08 128.01 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 172.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -49.92 109.96 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -139.84 101.65 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.1 m -99.61 161.74 13.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -132.61 158.22 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 -171.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.442 ' HG2' ' HA ' ' A' ' 54' ' ' ASP . 98.8 mtt180 -117.85 147.31 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -145.34 130.04 18.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -92.83 126.62 38.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -141.12 164.89 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.18 119.31 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.5 mt -129.8 129.47 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t0 65.06 24.81 12.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.96 -3.49 85.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.432 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.36 128.27 55.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.43 . . . . 0.0 110.913 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -72.21 127.32 32.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.2 p -144.71 162.72 36.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -106.23 122.02 45.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.6 mt -99.2 120.99 40.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 58.5 t0 -93.04 110.94 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 174.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.3 108.78 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -169.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.8 mt -97.77 106.56 18.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -172.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -99.84 154.3 18.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 m -99.07 132.75 44.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 172.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.47 143.44 31.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.091 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.66 -43.06 1.75 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -140.04 145.76 38.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.731 0.301 . . . . 0.0 110.902 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.86 -41.36 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -91.57 -33.44 15.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.829 -171.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -108.87 137.25 47.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.4 t -138.29 131.83 30.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 172.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.76 -42.05 86.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 63.7 mtt -84.88 -51.94 6.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -177.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -66.33 -44.68 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -167.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.87 -38.16 90.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 -175.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -70.84 -52.54 19.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -73.47 -29.86 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -171.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.5 tpt -53.17 -31.43 42.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 104' ' ' LYS . 98.5 mtt180 -69.29 -23.92 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.9 m -71.53 -44.02 65.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 171.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.69 31.42 36.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.505 164.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.61 -44.44 82.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.74 158.21 28.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.43 175.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' ' 111' ' ' MET . 74.1 t80 -137.95 129.46 27.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.941 0.401 . . . . 0.0 110.877 -174.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.1 tp -110.23 120.3 42.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.7 116.53 32.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -107.85 130.81 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.061 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -132.44 170.81 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -101.04 128.85 46.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.417 HG22 ' HA ' ' A' ' 123' ' ' ARG . 91.1 mt -75.77 -27.02 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 -175.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.512 ' HB3' HD21 ' A' ' 120' ' ' LEU . 17.0 p-10 -88.06 -21.27 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.589 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 7.3 t-20 -97.22 96.99 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 173.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.6 m -54.02 -37.77 64.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.46 -19.36 65.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -174.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.6 p -60.61 -24.81 65.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -173.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -64.02 -38.98 93.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 174.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.13 -36.7 83.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.62 -47.86 79.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.3 pt -71.19 -26.88 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -64.37 -53.23 51.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.857 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -67.78 -33.83 75.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -60.58 -50.08 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.46 -43.67 89.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.829 -176.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.21 -36.7 84.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -175.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.478 ' O ' HG21 ' A' ' 103' ' ' VAL . 17.6 tt0 -69.17 -46.16 68.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.97 172.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.81 -36.97 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.418 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 97.0 mttt -59.42 -39.3 83.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.31 -35.45 66.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.816 175.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 99' ' ' GLN . 67.7 t -67.45 -40.33 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -177.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.441 ' HG3' ' H ' ' A' ' 106' ' ' SER . 58.7 pttt -75.72 -24.81 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -170.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 45.27 42.65 7.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.441 ' H ' ' HG3' ' A' ' 104' ' ' LYS . 71.6 m -134.79 175.78 9.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -174.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -74.87 -179.88 4.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -66.06 117.21 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -172.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 85.7 t -88.24 132.53 39.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 111.104 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -62.26 126.76 19.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.432 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 25.2 ptp -137.92 159.05 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -170.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.4 p -131.04 137.53 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.144 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.0 tp -98.48 117.44 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 81.8 t -128.37 131.55 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.48 146.28 16.05 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -100.05 169.0 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 174.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 64.99 39.79 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.1 t -67.04 -31.85 72.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 170.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -82.5 0.53 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -175.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.512 HD21 ' HB3' ' A' ' 85' ' ' ASN . 60.7 tp -92.74 130.2 38.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 175.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.45 -30.76 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.05 77.05 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.417 ' HA ' HG22 ' A' ' 84' ' ' ILE . 99.8 mtt180 -90.15 79.98 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 173.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 52.6 p -85.05 64.88 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.2 t -136.27 131.09 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -76.91 110.92 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 92.9 p -62.87 -30.05 71.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -173.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.56 -39.5 94.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.819 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -73.92 -49.8 23.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.442 ' HB2' ' CE1' ' A' ' 141' ' ' TYR . . . -60.47 -43.52 96.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -67.62 -49.33 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.14 -33.56 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -176.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.62 -43.27 99.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 139' ' ' ILE . . . -69.05 -34.62 75.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -66.05 -33.49 75.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.9 p -64.92 -24.69 67.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.753 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.95 4.21 31.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.63 39.42 67.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 175.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 6.0 tp -138.45 133.68 17.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.554 0.692 . . . . 0.0 111.199 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.52 145.63 46.25 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 130' ' ' ALA . 48.5 t80 -91.93 126.42 37.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.95 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 84.9 mt -122.68 131.04 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -169.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -112.78 132.71 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 170.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 55.7 p -132.24 170.07 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -171.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -134.68 111.77 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 171.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.43 ' HB3' HD21 ' A' ' 19' ' ' LEU . . . -58.76 -25.16 62.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.8 -51.94 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -172.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.8 p -111.7 -24.5 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 -165.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -111.23 170.27 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -172.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.75 115.98 26.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.941 167.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.95 -74.97 0.98 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.553 -171.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.4 ' HB ' HD23 ' A' ' 23' ' ' LEU . 68.8 t -56.65 -44.47 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 111.11 -172.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.44 -48.23 82.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -69.14 -37.19 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.2 -45.82 83.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -69.98 -30.1 67.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -56.7 -47.9 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 173.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 87.9 m -66.54 -45.54 79.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 177.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.12 -52.3 63.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.006 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.1 -43.03 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -175.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.23 -40.44 94.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.4 -38.37 90.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.98 -39.96 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.197 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -67.98 -34.96 77.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.824 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -87.43 -49.99 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.777 -176.858 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.4 m -132.58 138.63 47.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -178.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -92.87 128.27 38.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -118.8 128.82 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.41 107.35 19.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 tp -103.66 125.27 50.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.482 HG22 ' HB3' ' A' ' 71' ' ' TYR . 98.7 t -112.17 121.25 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.149 171.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.0 126.03 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.12 163.28 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.95 -176.96 30.87 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 -176.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.7 123.34 12.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 111.102 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.3 141.7 30.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.591 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.64 15.52 56.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -95.31 -73.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.71 55.0 0.16 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -64.27 -30.02 71.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.5 m -65.2 -41.92 94.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.05 -36.64 85.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.06 -37.4 87.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 176.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.0 m -65.25 -44.81 86.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.41 ' HA ' HG22 ' A' ' 24' ' ' ILE . 92.3 mt -59.79 -39.05 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 178.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.528 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 7.5 tt0 -57.97 -33.77 69.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 HD22 HG12 ' A' ' 152' ' ' VAL . 90.7 mt -78.65 -54.47 6.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.666 HG23 ' HG2' ' A' ' 25' ' ' GLN . 9.7 tp -81.67 -33.37 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -165.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.666 ' HG2' HG23 ' A' ' 24' ' ' ILE . 99.0 mm-40 -107.32 -31.28 8.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 16.6 m120 77.62 26.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -126.53 164.71 20.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -114.95 104.84 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 177.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 p -148.32 144.23 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 -176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -79.33 75.0 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -124.98 75.03 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -72.72 142.32 48.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -170.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -93.77 154.15 40.98 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.546 0.688 . . . . 0.0 110.955 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.5 157.68 53.75 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.394 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.9 p -70.78 -7.34 44.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.776 -176.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -56.13 130.29 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -53.2 110.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -147.53 96.26 2.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.9 p -86.29 159.99 19.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -126.83 152.1 47.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -127.95 136.3 51.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -134.53 131.33 37.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -175.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -79.07 123.4 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.01 164.62 33.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.22 -173.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.09 124.99 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -124.12 120.73 60.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 56.97 29.96 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.01 0.22 89.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -106.31 130.06 54.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.023 0.439 . . . . 0.0 110.886 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -81.29 125.0 29.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.206 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.4 p -140.37 176.63 8.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 tp -104.81 126.63 52.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -176.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.7 tp -101.06 112.84 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 174.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -91.71 119.24 31.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.7 mt -101.61 114.94 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -168.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.443 ' HB3' ' HG2' ' A' ' 68' ' ' ARG . 73.8 mt -118.89 121.78 40.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 175.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -110.01 110.73 21.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m -97.72 132.59 43.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.12 130.91 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.39 -42.44 2.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 175.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -110.0 144.94 37.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.898 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -84.9 -46.49 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -131.73 -4.84 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -168.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -97.22 73.38 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -167.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 t -159.53 116.93 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.814 167.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.12 70.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.9 tpp -79.9 -46.41 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.443 ' HG2' ' HB3' ' A' ' 56' ' ' LEU . 72.5 mtt85 -99.0 -56.34 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.906 -168.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.03 -14.61 60.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -168.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -49.27 -25.04 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.916 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.482 ' HB3' HG22 ' A' ' 7' ' ' VAL . 14.6 p90 -48.18 -32.59 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -175.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.9 mtm -59.9 -33.62 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -66.93 -34.79 78.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.1 p -90.23 -30.37 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 -173.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.47 18.94 78.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.82 -49.98 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.7 161.72 10.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -155.03 151.7 28.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.3 tp -111.02 124.46 52.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.1 t -97.99 124.89 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -109.99 135.03 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 -174.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -109.74 135.49 50.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.582 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -87.96 122.41 31.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 176.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.468 ' HB ' ' O ' ' A' ' 116' ' ' ASN . 6.5 tp -67.34 -26.49 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 -169.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -103.22 -16.68 15.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -173.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.582 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 41.7 t-20 -88.13 115.32 25.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.9 m -67.54 -42.4 82.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.85 -21.0 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -175.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.4 t -51.84 -35.63 45.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -58.66 -45.4 89.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.77 -42.97 69.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -64.68 -39.09 93.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.767 -177.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.8 mt -66.64 -42.23 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -57.48 -47.25 82.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HB2' HE21 ' A' ' 95' ' ' GLN . 17.7 mt-30 -65.16 -47.57 76.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -177.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -65.3 -41.16 94.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -64.79 -40.1 94.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.44 -43.45 98.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -68.85 -47.57 65.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.51 -41.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 175.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.04 -44.3 96.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -178.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.86 -40.02 87.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.0 t -69.95 -40.27 78.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.1 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -97.52 11.15 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -45.72 -37.53 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.6 m -118.75 74.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 172.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -167.51 157.32 10.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -107.4 82.67 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.8 t -118.18 124.09 28.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.132 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.428 ' HG3' ' HA ' ' A' ' 163' ' ' ILE . 66.3 Cg_endo -73.84 136.4 22.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.656 2.238 . . . . 0.0 112.391 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.8 ttt -144.78 140.0 28.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.8 t -132.25 137.45 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.198 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 134' ' ' ALA . 62.6 tp -103.99 121.66 43.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 175.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.04 134.19 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.91 143.46 16.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.54 177.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.468 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 52.3 p30 -93.63 164.29 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -177.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 116' ' ' ASN . 56.7 mtpt 38.42 49.94 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.491 ' SG ' ' HG3' ' A' ' 143' ' ' GLU . 85.5 m -74.98 -6.9 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -177.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -97.57 5.03 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 176.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 tp -74.62 120.27 19.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.811 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.5 87.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.06 94.32 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HB2' HG13 ' A' ' 84' ' ' ILE . 35.9 ptt-85 -146.68 166.42 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -173.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.3 t -84.99 -165.59 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 70.8 t -40.88 141.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -175.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 7.5 tp10 -50.91 153.4 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -163.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.2 p -64.0 -20.86 66.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.423 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.7 mtt180 -60.6 -29.98 69.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.44 -42.38 98.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.21 86.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -65.03 -47.11 78.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.14 -37.32 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.73 -41.3 92.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.472 ' HB3' HD21 ' A' ' 113' ' ' LEU . . . -58.54 -38.22 77.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 175.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.39 -39.85 94.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.6 p -73.29 -22.03 60.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -89.81 -3.7 58.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.76 24.81 71.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 48.7 pt -134.7 156.7 78.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 111.109 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.54 153.04 60.39 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.622 2.214 . . . . 0.0 112.296 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -117.44 130.93 56.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.446 HG22 HG21 ' A' ' 144' ' ' THR . 40.9 mm -114.23 132.83 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 176.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.491 ' HG3' ' SG ' ' A' ' 118' ' ' CYS . 80.1 tt0 -118.56 109.98 16.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -175.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.446 HG21 HG22 ' A' ' 142' ' ' ILE . 71.7 p -137.92 179.48 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -175.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.5 t -127.03 108.85 11.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.436 ' H ' ' H ' ' A' ' 117' ' ' LYS . . . -65.14 -28.73 69.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 -176.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -75.78 -41.35 53.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -173.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 78.8 p -106.96 -21.14 13.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 -168.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -139.39 176.14 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -175.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -87.58 115.09 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 171.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.95 -63.55 0.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.411 HG12 HD22 ' A' ' 23' ' ' LEU . 54.4 t -58.91 -38.57 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 -175.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -55.44 -46.04 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.8 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.28 -37.93 81.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.832 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.18 86.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -63.15 -41.58 99.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -60.05 -39.62 86.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.1 m -65.09 -43.01 93.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.209 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.56 -41.46 90.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.438 ' HA ' HD13 ' A' ' 163' ' ' ILE . 49.4 t -63.75 -39.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.71 -35.86 77.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 173.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -71.45 -34.8 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 174.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 160' ' ' VAL . 85.9 mt -64.18 -40.12 87.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.114 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.5 -25.08 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -78.8 -59.9 2.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.048 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.7 m -119.33 135.41 54.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -97.56 130.97 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -113.42 133.14 55.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -100.09 102.15 13.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 tt -112.88 120.49 41.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -172.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.1 t -102.1 132.75 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 -175.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -93.19 125.32 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.7 m -133.04 164.71 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 -177.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.54 179.61 19.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.94 144.94 34.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.95 177.39 52.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.544 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.07 -26.44 6.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.4 t -95.0 -78.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.05 70.47 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 172.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -60.65 -45.81 92.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -66.8 -39.64 87.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . . . -61.1 -37.37 82.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.75 -43.99 91.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.7 p -72.38 -34.39 67.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -70.94 -43.58 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.059 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -77.18 -34.47 56.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -175.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.43 -42.2 92.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -174.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 tp -66.73 -20.0 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 58.6 mt-30 -100.58 -9.18 22.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.1 m-20 65.04 35.81 7.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -176.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -134.93 -171.34 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.809 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -112.02 130.0 56.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.26 114.25 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 174.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -75.03 -65.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -85.1 105.59 15.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.541 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 53.2 p90 -66.76 158.37 30.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -178.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -73.34 149.37 89.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.56 0.695 . . . . 0.0 110.869 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.463 ' O ' ' HB3' ' A' ' 35' ' ' SER . 37.7 Cg_endo -65.03 160.76 40.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.593 2.195 . . . . 0.0 112.35 176.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 34' ' ' PRO . 8.3 t 75.01 168.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -173.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.454 ' HB ' ' HB1' ' A' ' 59' ' ' ALA . 44.2 pt -109.18 173.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -167.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.478 ' OE1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER 53.52 72.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 178.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -110.07 45.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -107.53 164.88 11.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.05 167.78 20.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -170.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -115.01 135.98 53.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 169.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -140.13 138.26 35.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -175.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -78.61 124.95 28.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.53 160.02 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -173.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.06 118.38 48.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 174.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.8 mt -128.41 124.99 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 59.61 27.61 16.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -173.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.11 0.49 89.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -110.0 134.93 51.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -83.01 125.04 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -148.27 175.08 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.76 128.68 52.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.8 tp -110.73 109.82 20.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -106.09 112.65 25.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.5 mm -97.18 130.04 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -173.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 56' ' ' LEU . 3.4 mm? -104.77 112.17 25.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 177.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -97.18 123.45 40.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 172.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 t -105.54 150.07 25.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 175.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB1' ' HB ' ' A' ' 36' ' ' ILE . . . -165.51 146.91 7.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 -178.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.44 -38.17 3.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.429 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -115.01 171.12 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.902 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.21 -52.31 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -145.55 -15.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 169.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -58.37 114.49 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -176.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.6 m -139.03 140.31 38.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -175.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.91 -59.49 2.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.7 mtp -81.29 -43.76 18.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.486 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -68.48 -38.46 81.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -165.041 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.8 -35.13 75.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -61.13 -45.08 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -69.61 -34.95 74.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.8 mmm -66.39 -35.03 79.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.482 ' HA ' ' HD3' ' A' ' 104' ' ' LYS . 99.6 mtt180 -67.8 -32.07 72.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 176.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.5 m -72.77 -40.06 66.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 174.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.442 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 82.11 21.47 60.86 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.439 178.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.86 -51.29 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.918 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.98 145.32 4.36 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.444 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -155.03 150.0 26.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.961 0.41 . . . . 0.0 110.849 -175.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.447 ' C ' HD21 ' A' ' 79' ' ' LEU . 9.1 tt -102.21 119.88 39.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.23 122.83 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.26 125.25 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.457 ' HB2' HD11 ' A' ' 113' ' ' LEU . 44.6 t80 -122.76 132.81 54.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.848 -177.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.14 135.74 33.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 173.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.8 mm -77.54 -34.82 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -167.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -90.07 -18.0 26.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -177.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -90.59 102.59 15.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.1 m -59.8 -38.65 82.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.39 -25.03 67.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -177.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.7 t -59.88 -42.42 93.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -65.92 -42.96 89.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.68 -41.58 99.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.0 -38.74 92.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.98 -42.56 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 178.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -58.22 -45.18 88.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -62.22 -47.58 83.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -61.87 -46.48 89.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -178.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -62.54 -53.47 54.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -176.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -67.84 -39.71 83.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.53 -52.34 40.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -176.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.24 -42.09 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.14 -43.29 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.61 -36.27 76.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.76 -42.93 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.482 ' HD3' ' HA ' ' A' ' 73' ' ' ARG . 62.6 pttt -89.1 -3.6 58.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 51.86 46.68 26.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 173.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.7 m -129.72 169.97 14.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -174.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -82.77 -174.95 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -178.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -67.3 140.0 57.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.442 HG11 ' HA3' ' A' ' 75' ' ' GLY . 35.3 m -121.5 161.83 39.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.657 0.741 . . . . 0.0 111.137 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 90.0 Cg_exo -49.17 124.39 11.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.1 ttt -150.32 140.11 21.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -176.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.58 133.38 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 82' ' ' PHE . 35.2 tp -97.78 124.45 42.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.3 t -117.93 123.33 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.74 155.08 16.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -100.05 175.48 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 62.73 65.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 173.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.3 p -70.02 -15.99 63.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -86.29 -9.96 55.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.789 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.546 HD23 ' HD3' ' A' ' 123' ' ' ARG . 80.9 mt 55.01 41.48 31.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 175.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.8 -60.92 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -177.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -96.12 65.18 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.6 ' O ' ' NE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -169.24 159.88 9.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.449 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.2 p -123.87 32.27 5.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.88 130.03 75.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.045 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -80.15 154.45 28.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -175.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.5 m -61.3 -38.24 86.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.2 -37.19 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -69.04 -43.88 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.02 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.04 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.062 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -65.52 -45.53 83.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -64.45 -30.74 71.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 133' ' ' LEU . 0.1 OUTLIER -64.31 -40.04 95.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 174.026 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.408 ' HB3' HD21 ' A' ' 113' ' ' LEU . . . -65.17 -36.45 84.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 171.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -63.32 -33.01 74.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.2 m -63.77 -27.22 69.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 176.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.521 ' HB2' HG12 ' A' ' 139' ' ' ILE . 18.1 m-30 -91.06 -9.0 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 178.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.89 28.99 61.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.521 HG12 ' HB2' ' A' ' 137' ' ' TYR . 36.2 pt -132.01 158.75 74.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.749 0.785 . . . . 0.0 111.005 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.422 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.3 Cg_endo -73.04 154.85 52.8 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 178.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -119.62 128.69 54.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -121.36 124.74 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.067 173.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -107.57 126.73 52.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -146.59 177.28 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.6 t -111.68 122.6 48.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.82 -28.88 62.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -95.05 -55.73 2.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 58.0 p -97.63 -10.57 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -159.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -136.02 154.32 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -101.63 103.18 13.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 171.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.95 -22.84 3.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 177.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.87 -44.0 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 111.103 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.62 -43.4 93.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.0 -39.07 92.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.99 89.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -59.86 -45.56 92.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 175.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -65.63 -36.78 84.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 82.2 m -63.52 -42.74 98.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.18 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.32 -39.74 94.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.73 -40.02 87.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.1 -40.08 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -65.05 -34.7 79.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.7 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 171.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -64.96 -27.55 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -85.88 -48.01 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 79.2 m80 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -177.203 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.0 m -97.78 116.04 29.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -129.29 136.51 50.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -117.34 120.97 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -103.07 104.73 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -172.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.3 mt -115.62 131.62 56.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 86.5 t -96.53 135.14 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -175.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.52 122.31 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.94 164.88 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 170.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.41 -160.64 30.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 89' ' ' SER . . . -57.74 133.3 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 111.093 -177.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.84 98.22 2.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.14 -14.62 5.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.3 t -66.27 -67.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 111.123 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.95 67.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.527 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -66.42 -34.88 78.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.918 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 t -68.79 -42.16 77.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.79 89.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 92.7 mt -67.64 -32.57 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.938 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -69.9 -38.77 76.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.94 -43.53 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.2 pp0? -68.48 -22.33 64.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -174.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.07 -46.6 73.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.592 HG13 ' HG2' ' A' ' 25' ' ' GLN . 50.6 pt -86.28 -20.81 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.592 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.1 mm-40 -106.83 -20.8 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -177.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.2 m-20 64.89 35.09 8.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -174.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -156.9 139.82 15.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -89.67 126.85 35.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.23 165.74 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -96.69 -28.96 14.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.11 136.97 58.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -109.44 149.39 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -83.48 140.98 41.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.69 0.757 . . . . 0.0 110.825 -178.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -68.06 161.64 43.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 173.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 m -50.56 -36.02 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -74.41 125.09 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 57.01 52.42 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.53 ' OD2' ' HB2' ' A' ' 59' ' ' ALA . 24.5 p-10 -90.02 -47.43 7.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.3 m -77.24 147.39 36.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -133.62 155.06 50.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -119.4 143.76 47.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -142.52 129.8 21.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -79.42 122.18 26.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.92 160.04 23.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.62 116.74 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 172.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.7 mt -129.39 130.02 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t0 66.84 21.61 10.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.35 -4.94 82.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -109.59 129.9 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 110.954 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.8 m -70.44 129.27 38.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -151.8 173.95 14.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.0 tp -103.82 123.34 46.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.012 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.4 tp -101.83 116.3 32.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -101.95 115.83 31.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -103.06 114.98 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 56' ' ' LEU . 3.0 mm? -94.96 114.95 26.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -171.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -97.42 142.85 28.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 68' ' ' ARG . 71.4 p -76.18 151.66 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.53 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . . . -140.07 143.0 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -173.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.89 -113.91 4.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -97.16 161.03 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.31 . . . . 0.0 110.908 -177.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -70.52 -43.32 69.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.18 -18.88 26.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -175.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -122.4 83.31 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -153.45 120.25 5.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.28 -31.04 71.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 38.3 mmt -65.06 -35.07 79.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -175.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HB2' HG22 ' A' ' 58' ' ' THR . 69.4 ttp85 -89.76 -48.94 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 173.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.09 -45.79 83.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -166.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -71.84 -49.0 42.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -75.74 -38.64 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.019 -169.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.4 tpp -64.75 -32.9 74.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.851 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -63.46 -32.66 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.7 m -70.47 -40.98 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.89 25.88 61.51 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 173.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.48 -36.52 81.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.6 156.21 8.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 173.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -155.63 150.01 25.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.2 tp -109.24 134.28 51.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.7 m -103.57 115.55 30.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.6 m -117.62 142.07 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -144.34 165.66 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.22 130.3 37.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.454 HG22 ' HB2' ' A' ' 117' ' ' LYS . 9.0 tp -73.7 -20.32 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -175.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -93.74 -14.26 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -93.92 117.27 29.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -65.85 -39.99 91.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.01 -20.19 60.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -171.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 91.6 p -61.67 -26.55 68.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -173.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -62.77 -38.28 89.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.32 -39.48 92.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -59.33 -46.87 87.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.9 mt -69.63 -37.63 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -56.09 -40.26 73.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.61 -45.55 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -59.29 -49.03 79.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -45.56 74.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -173.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.8 -38.85 80.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -68.97 -48.04 64.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.42 -37.53 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -52.47 -42.6 64.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.9 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.93 -35.85 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -97.15 14.75 24.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -170.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -46.69 -34.84 5.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.1 m -128.41 75.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 171.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -165.06 155.96 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -110.53 100.2 9.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.88 128.2 17.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 111.133 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.99 140.09 19.88 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.744 2.296 . . . . 0.0 112.317 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.9 mtt -133.17 143.1 48.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.2 t -138.87 135.63 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 173.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 134' ' ' ALA . 54.2 tp -100.48 121.72 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 176.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.7 t -119.75 127.87 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.148 -174.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.86 135.99 12.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.453 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -92.57 179.36 5.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 0.0 110.959 -168.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.454 ' HB2' HG22 ' A' ' 84' ' ' ILE . 74.3 mttt 50.34 40.23 22.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 170.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.0 m -74.66 -5.01 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -93.72 -8.6 40.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 172.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.9 tp -91.23 122.32 33.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.91 89.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.0 93.35 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -152.58 172.49 16.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.4 p -71.75 -175.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 54.8 t -45.59 145.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 7.3 tp10 -43.69 149.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -170.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 94.6 p -64.87 -10.67 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.4 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.8 mtt180 -58.92 -33.87 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 174.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -69.91 -35.13 74.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.3 80.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.12 -46.12 85.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.0 -39.39 92.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 79.2 mt -65.57 -41.41 92.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.009 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.42 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -63.68 -39.88 95.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 175.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.23 -36.25 82.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 81.1 p -65.24 -24.57 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -103.64 5.09 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.93 27.43 66.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 170.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.04 153.86 78.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 111.156 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.11 154.9 42.29 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.242 . . . . 0.0 112.317 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -117.72 129.99 56.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 44.5 mm -118.08 138.55 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -97.72 131.0 44.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.692 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 5.8 t -135.05 169.27 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 36.7 t -161.25 141.89 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.28 -24.2 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 169.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.428 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.6 tttt -76.85 -68.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -171.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.428 HG23 ' HG2' ' A' ' 147' ' ' LYS . 40.4 p -138.03 -44.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.423 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 15.4 tpt180 -57.84 120.03 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -171.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -90.39 116.17 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.692 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -130.33 -55.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.544 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.439 HG23 HG21 ' A' ' 144' ' ' THR . 59.4 t -55.01 -49.58 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.798 0.333 . . . . 0.0 111.05 -172.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.23 -46.48 90.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.99 -34.64 78.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.6 -41.06 93.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -65.06 -38.59 91.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -63.97 -39.3 93.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 82.4 m -62.74 -42.11 99.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.01 -42.63 94.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.66 -43.95 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -65.04 -34.95 79.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.07 -37.91 89.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.1 -40.63 89.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -65.87 -31.71 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -80.91 -43.72 19.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 24.8 m170 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -177.741 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.87 0.367 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -96.92 117.67 31.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -132.59 138.17 47.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -117.18 112.83 21.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 92.5 mttt -98.57 102.87 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -115.29 126.77 54.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.011 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.95 125.0 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.6 t -95.32 124.36 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.65 159.98 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.44 -168.49 41.61 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.411 ' HB2' ' HA ' ' A' ' 89' ' ' SER . . . -77.5 145.0 37.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.047 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.72 142.15 36.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.07 10.63 74.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.4 t -97.47 -69.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.03 65.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.68 -49.29 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.706 0.288 . . . . 0.0 110.803 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m -78.31 -34.06 48.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.914 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.95 87.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -167.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.32 -34.27 75.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.5 p -76.01 -37.27 58.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.1 mt -70.68 -42.09 77.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -67.57 -23.64 65.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.6 tp -67.43 -47.25 70.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.58 HG13 ' HG2' ' A' ' 25' ' ' GLN . 46.7 pt -86.83 -19.96 7.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -173.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.58 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.8 mm-40 -107.12 -22.43 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -176.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.2 m-20 64.95 35.07 8.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -172.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -154.93 138.49 15.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -89.34 130.14 35.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.84 164.04 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -102.98 -19.62 14.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -69.87 121.08 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -172.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -84.68 138.89 32.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -64.9 136.82 96.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.692 0.758 . . . . 0.0 110.864 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.72 152.75 64.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.619 2.213 . . . . 0.0 112.315 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.8 m -53.69 -39.69 65.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 -178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.3 mt -74.93 123.22 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 55.02 46.63 23.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -72.34 -24.21 61.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 m -110.01 149.94 29.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -149.27 161.4 42.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.929 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -121.53 145.86 47.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.81 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -142.19 129.91 21.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -78.79 123.35 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.88 159.64 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 -174.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.0 t -108.76 120.6 60.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 171.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.0 mt -124.95 124.24 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 59.01 29.28 18.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.79 -3.24 87.29 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -106.3 130.0 54.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -81.23 130.02 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -150.05 170.81 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -105.56 119.71 39.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.997 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.9 tp -97.34 116.06 28.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.951 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' HB3' ' HA ' ' A' ' 5' ' ' LYS . 67.6 t0 -100.35 114.39 27.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.6 mm -96.43 114.71 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.5 mt -106.29 124.26 49.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -172.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -114.07 166.55 11.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.7 m -91.75 139.11 30.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.15 137.23 52.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.04 -106.51 2.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . 99.6 mm-40 -82.22 168.73 17.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -175.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.93 -43.24 72.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -172.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -129.95 13.55 5.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.44 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 78.1 m-85 -124.54 86.27 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -137.84 116.73 12.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.41 -34.87 77.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.089 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mtp -70.7 -45.0 65.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -175.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -85.83 -43.7 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.946 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.34 -30.69 71.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -174.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -59.35 -45.2 92.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -74.84 -33.9 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.5 tpp -62.13 -29.2 70.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -56.58 -32.56 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.7 m -75.04 -44.21 49.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.55 28.59 47.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -64.09 -30.92 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.414 . . . . 0.0 110.911 -176.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.91 153.9 6.68 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.414 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.7 150.23 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.1 tp -107.69 131.96 53.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.948 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.8 m -100.24 115.35 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -114.95 133.61 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.421 ' HB2' ' HB3' ' A' ' 89' ' ' SER . 37.2 p90 -134.52 160.03 39.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.455 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -92.44 135.46 34.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 174.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.5 tp -66.08 -24.85 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 -173.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -98.28 -20.03 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.455 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 10.7 t-20 -94.74 98.08 10.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.5 m -60.06 -33.79 72.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.49 -24.28 67.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.865 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.421 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 66.8 m -57.05 -35.19 69.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.851 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -64.49 -37.22 86.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.66 -41.21 92.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.98 -43.22 99.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.6 mt -67.52 -38.76 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -55.78 -43.15 76.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -65.0 -42.33 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -56.7 -45.74 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -61.26 -48.88 79.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.962 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.79 -37.17 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.3 -51.33 64.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.06 -36.18 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 105' ' ' ASP . 86.7 tttt -53.92 -37.28 63.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -54.99 -46.9 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.5 t -76.5 -37.91 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.53 16.9 25.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -169.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' LYS . 38.8 t70 -41.46 -40.15 1.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.2 m -118.98 77.96 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -166.4 157.64 13.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.809 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -101.62 103.63 14.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.0 t -119.12 116.22 34.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.597 0.713 . . . . 0.0 111.098 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -54.59 126.21 21.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 112.371 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.417 ' O ' ' HD2' ' A' ' 140' ' ' PRO . 91.1 mtp -136.64 142.49 43.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 87.1 t -139.82 136.96 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 170.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.4 tp -98.06 119.85 37.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 84.0 t -118.19 127.09 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -173.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.04 135.08 12.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.338 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -90.69 -179.38 5.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 -172.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 56.75 65.09 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 143' ' ' GLU . 88.0 m -90.98 -14.97 30.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -94.79 -9.4 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -104.81 143.92 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.2 -43.13 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -55.93 120.97 8.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -164.95 161.85 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -175.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.1 t -84.98 -165.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 169.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.4 t -42.13 141.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -48.56 151.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -164.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.2 p -64.83 -19.1 65.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.42 -35.67 79.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -70.04 -34.92 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 174.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.88 85.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -63.64 -45.66 89.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 173.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.87 -34.99 75.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.18 -40.98 95.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 174.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.54 79.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 173.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -64.88 -38.62 91.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 70.0 p -70.36 -22.72 62.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -89.42 -8.84 52.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.32 26.28 64.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.6 pt -132.87 153.68 81.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 0.0 111.206 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 111' ' ' MET . 27.9 Cg_exo -63.68 153.35 75.75 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.747 2.298 . . . . 0.0 112.328 176.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -118.02 126.81 53.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 41.5 mm -121.69 136.57 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.226 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.484 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 98.6 mt-10 -104.03 132.41 50.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 6.6 t -142.46 167.84 21.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -137.78 137.84 38.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.82 -22.8 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.1 170.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -77.49 -69.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -171.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.9 p -139.78 -44.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 110.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -171.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -80.06 120.06 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 143' ' ' GLU . . . -130.62 -51.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.8 p -55.34 -28.09 21.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -170.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -53.6 -43.68 68.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.14 -34.9 78.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.65 98.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.032 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -65.02 -37.9 89.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -64.82 -37.51 87.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 90.3 m -63.78 -42.8 97.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.187 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.0 -46.34 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 20.3 m -72.39 -27.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.67 -41.3 96.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 173.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.3 -42.42 93.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.98 -39.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -64.87 -43.93 91.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -83.16 -34.9 25.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -171.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 176.687 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -100.03 124.07 44.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -108.41 133.82 52.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -110.33 134.65 52.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -99.35 102.08 13.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 tt -114.87 119.66 37.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.77 128.56 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.3 t -96.53 124.28 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.57 163.08 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.3 -165.12 28.66 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.52 122.11 12.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.119 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.24 159.49 35.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.526 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 1.46 88.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.7 t -95.01 -77.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.087 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.49 54.65 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -67.37 -36.38 81.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.319 . . . . 0.0 110.891 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.9 t -63.87 -42.78 97.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 174.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.25 97.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 89.4 mt -66.18 -37.28 85.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.5 m -67.38 -44.21 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.33 -39.9 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 3.8 pp0? -69.43 -20.98 63.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -172.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.4 tp -70.43 -50.79 34.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.603 HG13 ' HG2' ' A' ' 25' ' ' GLN . 46.0 pt -81.24 -19.92 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 -171.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.603 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.8 mm-40 -110.5 -18.96 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -177.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 95.7 m-20 64.98 28.86 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -155.97 139.43 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -83.06 122.27 28.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.9 124.67 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 -177.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.27 -34.13 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -55.07 130.72 42.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -92.33 143.67 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.953 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -76.0 139.95 69.79 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.703 0.763 . . . . 0.0 110.827 -176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.33 156.22 62.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.237 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.9 t -53.72 -38.73 64.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -75.09 125.07 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 57.48 46.34 18.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -79.13 -15.3 58.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -113.67 149.16 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -172.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -136.99 152.97 50.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -174.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -124.7 147.15 48.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -148.08 138.29 22.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -176.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -78.36 124.91 28.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.68 160.03 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.09 116.52 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -130.96 126.51 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.2 t0 65.22 25.03 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -174.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.76 -3.43 85.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -111.62 135.8 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.918 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.6 m -79.16 129.93 34.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.9 p -148.92 173.8 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.6 tp -104.44 120.91 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.975 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.2 tp -106.26 115.87 30.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -100.07 111.86 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.0 119.47 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.291 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.9 mt -106.23 128.38 53.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -166.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -107.4 163.44 13.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.5 m -70.8 135.13 47.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.8 139.15 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.55 -101.81 2.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . 97.6 mm-40 -90.12 -177.75 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.83 -175.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.08 -43.01 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -128.27 -4.98 5.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.404 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 89.0 m-85 -109.47 104.61 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.6 t -140.61 120.21 13.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.71 86.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 65.4 ttp -69.95 -58.56 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -69.68 -44.6 70.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -167.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.67 -33.64 76.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.35 -43.84 98.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -65.98 -36.88 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.1 -35.03 79.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.62 -33.04 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.6 m -69.97 -40.96 75.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.27 25.46 63.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 172.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.0 -36.86 80.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.819 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.56 146.23 4.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -149.19 150.0 31.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -106.32 129.02 54.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.8 t -97.5 118.16 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -109.7 131.74 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.119 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HB3' HG21 ' A' ' 93' ' ' ILE . 32.3 p90 -131.02 163.81 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 177.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -94.0 133.05 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.547 HG13 ' HB2' ' A' ' 123' ' ' ARG . 9.7 tp -74.7 -22.84 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.118 -171.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -100.41 -17.04 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.617 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 44.3 t-20 -88.94 116.29 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 -176.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.4 m -68.75 -44.34 73.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.081 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.42 -27.29 67.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.913 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.3 t -59.19 -38.99 81.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -63.89 -42.6 97.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.39 -37.42 85.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.86 -47.69 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.41 HG21 ' HB3' ' A' ' 82' ' ' PHE . 50.3 pt -72.41 -25.97 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -175.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -61.66 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -71.55 -46.82 58.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -64.31 -48.63 74.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -172.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -67.44 -40.01 85.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -173.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -67.83 -43.16 80.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -63.63 -47.58 80.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.929 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.15 -43.05 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 105' ' ' ASP . 88.2 tttt -59.59 -44.31 93.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -64.99 -40.56 95.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -176.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.8 t -69.61 -40.11 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -102.46 10.02 39.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -173.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 101' ' ' LYS . 38.8 t70 -46.64 -47.92 20.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -176.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.1 m -85.03 61.99 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -169.44 160.04 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -95.76 86.35 4.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.65 108.09 49.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 -176.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -59.04 129.55 32.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 58.0 mtt -134.4 139.35 45.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.1 t -135.74 140.44 44.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.178 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 37.8 tp -109.31 127.77 54.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.486 HG12 ' HB ' ' A' ' 142' ' ' ILE . 28.1 m -130.05 143.46 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.72 151.6 18.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 172.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -91.79 178.93 5.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -171.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 54.97 44.83 27.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 170.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.5 m -89.86 11.32 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -103.61 -12.31 17.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 165.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.5 mt -103.18 150.59 23.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.26 36.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.09 115.68 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.078 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.547 ' HB2' HG13 ' A' ' 84' ' ' ILE . 30.8 ptt-85 -167.1 175.54 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 -177.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.8 t -82.04 -166.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 173.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 53.5 t -44.12 147.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.21 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -43.74 149.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -168.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.9 p -63.69 -12.77 37.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 -174.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -58.27 -33.11 69.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -69.02 -37.41 78.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.031 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.39 90.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -58.22 -49.44 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 170.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.32 -36.52 80.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.19 -33.75 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.402 ' HB1' HG13 ' A' ' 139' ' ' ILE . . . -68.46 -39.82 81.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 169.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -69.13 -28.57 66.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.6 p -65.42 -28.03 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -105.4 0.7 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.16 38.68 17.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.497 169.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.402 HG13 ' HB1' ' A' ' 134' ' ' ALA . 43.4 pt -125.35 156.52 70.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.48 150.77 52.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -118.37 126.39 52.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.486 ' HB ' HG12 ' A' ' 114' ' ' VAL . 40.8 mm -121.64 138.41 52.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.14 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -91.29 131.62 36.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 10.6 t -141.31 163.35 33.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -143.29 140.08 30.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.92 -14.98 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -80.05 -69.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 50.4 p -138.91 -44.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -55.53 120.1 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -167.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -90.03 102.78 15.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.32 -27.06 2.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.541 170.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.29 -45.15 96.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.95 -44.84 96.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.0 -36.68 85.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.32 95.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -60.16 -42.96 96.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -64.72 -39.06 93.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.6 m -63.97 -43.22 96.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.57 -42.45 99.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.51 -39.9 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.58 -37.52 86.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.805 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -65.99 -35.39 80.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.99 -40.0 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 170.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -64.94 -30.39 71.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -85.33 -48.88 8.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -174.898 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.6 m -98.56 119.35 37.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -122.59 137.56 54.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -114.62 127.56 55.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -100.54 100.4 11.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.918 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -113.03 122.7 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.7 t -100.58 127.44 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -91.2 124.1 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.99 161.59 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.33 -167.58 38.31 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.45 144.99 43.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 111.076 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.98 140.71 30.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.58 22.32 53.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.456 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 83' ' ' ALA . 92.0 t -96.4 -71.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.082 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.59 54.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -72.48 -42.43 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.827 -168.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -68.68 -40.29 80.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.903 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.81 97.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 95.8 mt -65.61 -34.49 78.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.3 m -67.66 -42.56 82.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.158 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.36 -41.91 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.9 pp0? -66.95 -28.23 68.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -174.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.8 tp -74.88 -46.43 36.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.635 HG13 ' HG2' ' A' ' 25' ' ' GLN . 40.6 pt -82.07 -21.53 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 -171.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.635 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.6 mm-40 -112.45 -11.47 13.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.5 m-20 65.03 24.09 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -175.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -164.99 142.25 6.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -176.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -80.49 128.27 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.0 t -111.05 128.73 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -58.35 -43.68 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.9 108.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -82.04 120.16 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.979 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.66 140.03 86.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.66 0.743 . . . . 0.0 110.846 -172.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.1 165.45 32.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.611 2.207 . . . . 0.0 112.33 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.0 p -65.0 -14.83 61.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -78.17 123.97 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 172.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 54.8 49.14 18.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -90.0 -49.25 6.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -66.5 146.77 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.78 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -147.76 142.16 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.95 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -116.38 130.21 56.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.827 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -143.22 139.31 30.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.969 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -82.19 125.89 31.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.06 159.92 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -174.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.0 t -102.6 115.02 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -133.8 129.76 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t0 68.28 23.89 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.79 -4.12 80.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.433 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -112.16 136.93 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.978 0.418 . . . . 0.0 110.925 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.0 m -78.59 129.01 34.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.3 p -148.09 170.32 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -177.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.8 tp -104.99 118.49 36.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.993 -178.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.9 tp -112.57 116.5 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.981 -173.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -101.6 114.28 28.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.59 117.89 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.3 mt -108.51 115.63 30.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -101.8 147.01 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.8 m -59.84 135.14 57.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -172.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.28 146.0 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.46 -113.23 3.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.536 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -108.71 156.47 19.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.14 -37.74 81.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -89.93 -24.21 21.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -126.66 78.49 1.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.5 t -115.2 122.95 47.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.82 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.07 -31.83 73.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.17 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.9 mmt -78.68 -42.86 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -93.57 -61.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -173.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -75.26 -41.64 56.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -164.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -59.99 -45.02 94.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -77.14 -34.19 56.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.1 tpp -59.38 -29.61 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.865 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -55.75 -33.91 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -77.95 -47.13 19.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.69 22.32 53.71 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.449 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.93 -37.38 66.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.835 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.08 149.84 5.84 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.402 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -150.33 151.35 32.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.8 tp -102.87 129.92 49.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.9 m -95.22 118.04 31.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.6 t -112.55 131.5 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.454 ' HB2' ' HB3' ' A' ' 89' ' ' SER . 33.0 p90 -133.46 159.04 41.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.685 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -89.25 132.67 34.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 175.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.597 HG13 ' HB2' ' A' ' 123' ' ' ARG . 10.6 tp -68.95 -25.28 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.183 -170.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -102.09 -16.81 16.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.685 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 11.2 t-20 -92.97 101.81 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 176.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.0 m -59.43 -34.81 72.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.141 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.59 -24.01 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 58.0 m -59.24 -38.34 79.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -64.14 -36.84 85.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.63 -40.31 95.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -64.08 -39.93 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.5 mm -64.97 -40.2 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -58.75 -44.44 90.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.836 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -62.8 -42.24 99.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -57.01 -44.51 82.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -61.11 -45.59 94.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.06 -38.07 89.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.74 -50.32 63.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.8 mm -63.49 -39.41 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.56 -40.88 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -176.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -56.56 -52.48 64.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -176.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.9 t -76.81 -39.55 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -103.6 13.98 32.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -168.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -40.03 -44.9 1.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.4 t -121.76 94.92 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 173.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -165.63 163.12 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.94 81.87 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.8 t -119.84 112.24 35.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.658 0.742 . . . . 0.0 111.152 -174.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -77.6 136.75 15.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.789 2.326 . . . . 0.0 112.283 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 46.7 mtt -137.66 143.79 41.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.4 t -137.73 135.24 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 168.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.466 ' HB2' HD12 ' A' ' 139' ' ' ILE . 49.2 tp -104.56 119.22 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.35 135.06 64.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.88 153.34 17.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.403 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.444 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 48.2 p-10 -96.43 177.69 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -170.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.99 48.8 21.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 165.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.4 m -90.88 12.37 19.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -98.84 -10.23 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 161.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 64.3 tp -89.93 120.79 31.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.14 93.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 114.98 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.117 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.597 ' HB2' HG13 ' A' ' 84' ' ' ILE . 40.7 ptt180 -165.0 -179.96 6.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.1 t -78.52 -168.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.3 m -48.6 152.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 6.6 tp10 -47.07 146.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -169.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.3 p -66.09 -20.15 66.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -173.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.407 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.6 mtt180 -66.66 -38.07 86.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -71.2 -43.18 67.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.99 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.87 84.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -58.63 -48.64 80.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 172.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.2 -35.01 74.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.99 -41.99 94.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.99 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.88 85.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 174.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -67.66 -36.02 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.5 p -67.48 -20.76 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 173.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -89.66 -7.33 54.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.26 24.2 69.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' A' ' 113' ' ' LEU . 40.4 pt -130.41 152.21 79.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 111.145 -176.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.78 152.93 47.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.28 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -116.9 122.34 44.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.1 mm -120.17 136.36 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.181 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -107.35 123.48 48.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 5.9 t -136.53 161.58 35.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.9 t -135.32 139.32 44.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.9 -22.19 66.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.125 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.8 tttt -74.74 -68.94 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -172.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 147' ' ' LYS . 40.4 p -138.17 -44.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -58.13 119.9 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -169.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -90.36 113.42 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.66 -54.44 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.12 -29.51 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.22 -43.49 82.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.788 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.15 -34.7 78.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.36 96.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -62.98 -41.57 99.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -66.44 -41.96 88.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.2 m -64.83 -41.46 95.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 32.4 mt -61.19 -45.06 96.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.25 -40.95 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.5 -37.14 86.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -65.88 -41.13 91.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.97 -39.98 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -61.63 -34.55 75.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -75.95 -44.37 40.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 178.551 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.6 m -92.05 124.95 36.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -98.14 130.18 44.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -136.34 133.32 36.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -101.0 121.47 41.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -120.06 126.48 50.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 65.4 t -100.57 126.81 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.207 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.7 t -93.15 122.07 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.61 160.57 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.236 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.94 -176.67 42.47 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.449 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 89' ' ' SER . . . -63.75 130.39 44.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 111.037 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.91 141.8 30.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.492 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.15 -1.15 69.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -94.98 -79.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 111.12 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.09 54.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.392 170.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -67.41 -35.6 79.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.382 . . . . 0.0 110.97 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -75.64 -40.19 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 175.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.12 97.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.131 -174.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.36 -42.13 93.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.9 m -67.95 -47.12 69.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.18 -48.21 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -70.42 -35.93 73.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -174.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.2 tp -63.3 -53.13 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -66.64 -32.18 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.169 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -96.84 -5.13 39.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.4 t30 50.94 46.35 26.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -160.08 144.98 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -176.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -94.78 125.39 39.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -174.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.0 159.79 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -147.3 24.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -119.67 29.72 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -87.7 133.34 33.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.98 140.06 88.36 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.55 0.69 . . . . 0.0 110.883 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -75.96 151.43 35.3 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.5 m 64.19 35.34 10.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.811 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.0 mm -115.16 138.2 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -96.82 38.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -63.66 108.22 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -110.64 154.94 23.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -170.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -130.05 150.1 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -167.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -126.15 134.19 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.873 173.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -137.4 131.14 31.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -173.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -93.19 123.99 36.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -134.08 159.96 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 -175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.96 122.7 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.155 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.2 mt -121.42 118.96 57.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 55.62 33.84 22.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.74 3.08 90.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -109.98 127.78 55.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.997 0.427 . . . . 0.0 110.888 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.2 m -74.13 128.54 35.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.0 t -138.96 139.26 37.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.7 tp -106.62 117.12 33.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.9 mt -106.42 115.24 29.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -170.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -93.51 110.05 21.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.52 114.23 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.2 tp -94.05 122.57 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -175.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -93.35 118.28 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.8 p -90.86 151.54 21.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.11 154.83 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.11 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.13 -109.4 3.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.96 169.98 16.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 110.941 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.46 -44.72 50.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -177.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -130.63 -20.06 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -83.52 76.55 9.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -167.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.7 t -150.44 140.0 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 171.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.79 81.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.085 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 67.5 mtt -67.49 -43.42 80.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -64.37 -42.43 96.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.87 -43.31 93.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -65.3 -47.19 77.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -175.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -76.12 -47.12 25.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.0 mtt -65.45 -26.83 68.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -61.92 -31.15 71.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.8 p -88.61 -32.1 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.734 ' HA3' ' HB3' ' A' ' 106' ' ' SER . . . 70.91 26.28 74.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.461 169.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.75 -38.28 69.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.0 158.64 9.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.428 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.35 148.63 28.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 110.916 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.1 tp -106.66 130.62 54.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.0 m -101.22 122.35 43.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -171.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.6 t -110.76 125.01 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.79 158.57 16.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -172.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.46 151.63 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -176.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 pt -89.94 -22.27 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -100.04 -42.25 6.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -88.09 98.98 11.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.1 m -61.09 -34.14 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.91 -17.89 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 60.5 p -58.28 -29.15 65.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.787 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -64.58 -42.74 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.74 -42.55 86.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.34 -44.19 83.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -69.43 -39.96 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -60.49 -38.72 85.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.779 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -61.82 -44.37 96.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.949 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -57.79 -38.98 76.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -57.25 -47.19 82.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.04 -35.05 79.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.73 -49.67 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.28 -42.22 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -67.66 -51.99 43.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -89.66 -58.14 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -172.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.8 t -70.85 -41.31 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.089 -169.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -87.61 -8.86 55.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 64.87 33.92 9.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.814 172.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.734 ' HB3' ' HA3' ' A' ' 75' ' ' GLY . 73.8 m -97.23 153.47 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -69.6 160.69 31.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.795 -174.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -91.18 105.41 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 111' ' ' MET . 33.8 m -110.4 160.02 29.99 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.615 0.722 . . . . 0.0 111.029 -176.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.34 133.38 42.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.57 2.18 . . . . 0.0 112.394 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.447 ' O ' ' HB ' ' A' ' 139' ' ' ILE . 55.4 mtt -129.98 161.95 29.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.7 t -129.55 133.35 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.5 mt -102.28 121.8 42.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.7 t -118.93 129.09 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -170.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.61 146.12 16.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -100.0 168.66 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -171.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 49.52 45.41 24.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.8 m -93.16 11.76 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.789 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.448 ' HB3' ' HB2' ' A' ' 149' ' ' ARG . 58.9 p30 -114.43 4.02 15.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 169.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.1 mt -107.0 159.31 16.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 175.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.92 79.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.71 98.29 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.018 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -110.04 172.16 7.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.795 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.8 t -81.44 -170.29 2.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.178 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 33.9 m -51.66 153.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.207 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -43.6 130.04 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -176.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.9 m -58.71 -30.11 67.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -172.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.03 -39.15 92.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.927 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -70.84 -46.5 62.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.03 80.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -64.99 -45.52 85.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 175.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -63.24 -34.5 77.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.05 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.9 76.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -66.27 -30.56 71.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -176.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.7 p -64.86 -22.32 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -104.16 0.32 29.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.876 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.99 27.67 64.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.447 ' HB ' ' O ' ' A' ' 111' ' ' MET . 40.0 pt -126.07 159.94 59.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.593 0.711 . . . . 0.0 111.171 -174.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 90.5 Cg_endo -79.62 154.5 23.84 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 -176.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -113.27 129.99 56.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 172.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.3 mm -118.11 138.31 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.193 -174.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -99.99 130.24 46.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.431 HG21 HG13 ' A' ' 152' ' ' VAL . 6.3 t -134.71 177.64 7.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.9 t -149.68 131.55 15.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 168.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.13 -20.26 63.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 166.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -74.05 -69.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 42.1 p -142.24 -44.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.448 ' HB2' ' HB3' ' A' ' 119' ' ' ASP . 75.7 ttt180 -61.13 128.43 36.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.794 -171.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.98 118.47 29.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.982 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.408 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -127.72 -51.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.416 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.431 HG13 HG21 ' A' ' 144' ' ' THR . 15.7 m -55.75 -27.34 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 111.142 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -55.88 -46.33 78.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.89 -43.7 71.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.37 -31.89 73.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 152' ' ' VAL . 89.2 t80 -61.97 -49.79 74.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -173.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -80.54 -36.94 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.4 m -64.52 -44.08 92.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.221 -178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.36 -44.91 96.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.18 -44.61 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -57.69 -48.44 79.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -68.72 -42.93 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -171.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.8 mt -70.27 -39.87 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -64.64 -40.7 95.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -79.98 -32.49 39.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.43 ' OXT' ' CG ' ' A' ' 166' ' ' HIS . 85.9 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 170.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 ttm . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.836 0.35 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.2 m -97.96 125.56 42.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -96.84 133.22 41.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -175.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -119.95 116.37 25.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -96.63 106.07 18.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.881 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.7 mt -107.13 123.76 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.0 125.07 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.9 t -95.73 127.49 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 -178.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.2 m -128.83 152.66 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.5 175.37 39.82 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.38 128.07 34.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.52 146.95 39.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.91 -33.33 6.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.4 t -75.68 -84.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.894 0.378 . . . . 0.0 111.057 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.24 55.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.415 171.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -64.83 -36.56 84.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -83.74 -50.25 8.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.68 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.068 -172.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.78 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 p -82.95 -33.39 26.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.7 -39.22 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -62.64 -24.45 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.57 -41.37 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.417 HG21 ' HB3' ' A' ' 40' ' ' TYR . 47.7 mm -68.52 -30.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.23 -4.42 51.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -176.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 57.17 37.18 28.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -168.18 141.26 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -79.78 116.32 19.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -170.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.4 m -130.96 152.58 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -145.07 24.97 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -109.97 25.73 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -176.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -82.18 130.17 35.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.06 140.01 90.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.872 -176.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.88 151.04 39.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -176.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m 61.85 34.94 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 176.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mm -112.89 135.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.215 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -101.56 39.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -86.62 99.9 12.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.4 m -89.51 156.6 18.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' HB3' HG21 ' A' ' 24' ' ' ILE . 97.7 m-85 -129.47 150.16 50.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -171.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -130.09 140.26 50.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -135.78 130.57 34.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -75.09 125.91 29.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 174.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -133.66 161.79 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.037 -173.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.19 122.5 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.151 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.1 mt -124.51 120.41 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 58.7 29.55 18.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.16 -0.91 88.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -103.6 139.27 39.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.954 0.407 . . . . 0.0 110.878 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.4 m -69.75 122.13 18.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.3 m -132.46 158.64 41.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -109.65 123.24 49.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 172.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.31 97.82 10.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -99.4 109.36 21.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -101.62 116.81 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 mt -102.99 126.29 50.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -171.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -92.63 139.98 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.041 0.448 . . . . 0.0 110.845 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.2 p -109.16 147.42 32.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.05 145.43 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.04 -104.97 2.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.459 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -84.92 159.02 20.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.668 0.27 . . . . 0.0 110.941 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.71 -41.38 53.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -140.03 0.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.38 77.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -173.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.4 t -155.05 154.04 31.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.9 73.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.063 172.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.8 tpp -79.94 -40.17 28.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -80.2 -60.51 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -174.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.01 -42.07 94.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -169.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.92 -49.62 71.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -172.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -77.92 -33.07 51.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -173.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.7 mmm -64.38 -24.75 67.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.954 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -54.15 -36.59 63.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 174.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.8 m -80.91 -50.09 10.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 175.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 26.7 73.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 172.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -51.74 -41.46 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 172.65 159.98 20.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -145.16 150.0 35.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.1 tp -104.65 126.85 52.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.9 115.37 28.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.9 t -101.17 123.94 54.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -94.13 134.0 37.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.45 152.14 28.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mm -80.76 -35.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -173.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -99.85 -40.45 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -84.88 96.25 9.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.1 m -62.7 -33.81 75.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 173.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.51 -18.01 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.7 p -56.81 -33.63 66.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.819 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.91 -48.45 74.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.5 -38.58 90.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.929 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.32 -40.97 98.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.73 -43.06 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -60.08 -43.61 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -63.27 -44.57 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -62.94 -38.01 89.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -59.15 -52.79 64.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.31 -34.53 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 103' ' ' VAL . 28.9 tt0 -66.3 -52.85 43.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -176.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.15 -39.9 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.108 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -55.25 -46.09 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.96 -39.26 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 99' ' ' GLN . 54.4 t -64.54 -38.1 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -94.97 -5.0 45.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 54.97 46.65 23.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -174.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 t -99.93 156.87 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.735 -173.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -79.49 -179.7 6.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.829 169.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -76.59 118.9 19.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.51 160.21 28.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.724 . . . . 0.0 111.08 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -53.46 131.16 42.15 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.5 ttt -145.02 139.98 27.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.6 t -133.79 138.32 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.157 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.6 tp -102.72 123.52 46.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.48 134.57 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.11 147.79 18.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.44 HD21 ' HB2' ' A' ' 146' ' ' ALA . 16.8 t-20 -100.02 170.55 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -170.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.4 mttt 54.97 38.67 30.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.0 m -84.95 -11.39 55.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.854 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -104.33 3.55 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.48 157.46 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.16 94.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 175.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.03 97.54 5.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.054 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -110.04 154.96 22.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -173.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.7 t -84.94 -167.59 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 34.0 m -50.8 154.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.12 132.62 47.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -169.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.2 m -58.06 -34.97 70.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.3 -37.14 84.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.42 -46.15 70.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.12 79.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -65.21 -46.37 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.01 -36.89 85.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.92 -41.03 95.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.443 ' HB1' HG13 ' A' ' 139' ' ' ILE . . . -64.89 -41.32 95.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -67.19 -30.44 70.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.1 m -64.94 -30.99 72.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -94.36 -3.22 50.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.07 29.65 53.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.478 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.443 HG13 ' HB1' ' A' ' 134' ' ' ALA . 45.9 pt -125.05 156.68 69.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.34 150.49 32.62 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.408 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -115.77 127.09 54.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 173.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -125.83 139.94 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.123 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -97.44 133.38 42.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.563 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 6.0 t -135.17 172.36 13.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 177.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 47.1 t -142.6 129.99 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 171.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -59.21 -21.82 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 171.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.05 -64.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 92.8 m -144.77 -44.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -175.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.418 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 75.8 ttt180 -62.67 130.05 43.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -169.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -90.08 121.13 31.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.563 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -136.67 -52.54 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.429 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.427 HG23 HG21 ' A' ' 144' ' ' THR . 56.4 t -55.55 -39.28 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.767 0.318 . . . . 0.0 111.078 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.09 -43.62 82.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -67.17 -34.52 77.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.35 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -62.13 -44.72 96.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 173.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -64.5 -43.97 92.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 92.2 m -66.86 -40.53 87.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.204 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.44 -38.41 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.27 -42.66 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -62.74 -37.67 87.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.08 -36.77 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.4 mt -64.95 -40.34 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.74 -39.2 93.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 -173.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -83.22 -33.39 26.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.411 ' ND1' ' OXT' ' A' ' 166' ' ' HIS . 65.4 t-80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.847 173.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.848 0.356 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.9 m -98.63 124.74 43.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.092 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -92.09 137.0 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -173.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -127.15 140.08 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -97.21 112.56 24.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.5 tp -119.78 128.0 53.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -108.02 132.4 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.251 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -101.57 124.98 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.97 162.12 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.212 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.07 -178.21 40.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.436 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.66 135.52 52.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 111.086 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.12 161.23 50.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.405 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.28 -37.99 3.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.415 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -75.03 -84.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 0.0 111.086 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.67 64.95 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 170.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -66.47 -27.71 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 171.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -66.78 -40.08 88.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.156 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.12 -39.75 93.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.0 m -65.78 -46.97 76.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.77 -38.26 81.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.471 ' HG3' ' HA ' ' A' ' 28' ' ' PHE . 26.7 tt0 -67.13 -49.86 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -167.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.67 -46.32 79.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.899 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -64.99 -33.24 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.72 -2.38 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 55.56 42.62 29.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.454 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 85.3 t60 -158.87 140.63 13.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -176.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.471 ' HA ' ' HG3' ' A' ' 22' ' ' GLN . 79.6 m-85 -80.03 122.09 26.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -172.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -134.96 153.05 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -169.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -145.07 23.61 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -109.12 40.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -68.38 152.96 44.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -98.76 114.61 65.59 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.2 145.88 61.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.8 m 50.01 60.0 4.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 tp -122.9 149.8 26.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.212 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.56 9.9 24.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -75.01 85.06 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.2 m -97.95 160.62 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -130.23 145.65 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -167.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -129.19 137.13 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 171.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -145.42 135.89 24.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -174.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -83.13 127.21 33.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -134.92 160.06 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.8 t -112.68 122.14 66.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.177 172.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 88.3 mt -125.6 121.98 61.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 59.65 26.5 15.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -175.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.22 -4.23 84.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.573 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -100.61 129.15 46.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.872 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -80.23 122.09 26.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -173.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.8 m -127.75 154.78 44.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 tp -113.38 112.11 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 173.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.9 tp -96.95 110.78 23.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -169.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -97.66 109.26 22.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 176.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.5 mt -102.28 115.28 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 tp -104.54 118.32 36.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -92.52 120.69 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -79.56 139.93 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.08 139.94 41.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.0 -114.95 5.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -86.73 143.37 27.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.696 0.284 . . . . 0.0 110.994 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -76.68 -36.44 57.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.874 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -97.01 -11.09 24.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.85 80.51 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.8 t -156.79 136.06 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.41 75.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.051 167.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.4 mtm -66.85 -38.57 86.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -61.76 -51.05 69.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.67 -35.08 79.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -173.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -62.16 -51.06 69.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -169.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -77.02 -37.54 54.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.7 mmm -64.04 -23.26 67.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -57.09 -33.52 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.6 p -91.79 -27.32 18.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.06 22.4 76.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.46 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.84 -49.11 77.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.68 162.25 21.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.531 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -149.98 149.75 30.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.4 tp -100.96 131.54 46.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.8 t -106.66 116.48 32.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -174.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.94 130.02 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.422 ' HB2' HD11 ' A' ' 113' ' ' LEU . 56.1 t80 -112.52 144.14 42.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -170.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.42 157.51 37.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -172.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.7 mm -83.25 -40.43 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -100.17 -40.66 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -80.35 100.05 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -171.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.5 m -64.24 -34.25 77.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.078 172.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.36 -21.67 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -173.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.8 m -56.54 -32.95 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.73 -40.18 91.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.86 -39.13 93.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.78 -38.57 91.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 175.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.12 -40.45 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.03 -43.13 95.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.787 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.17 -42.09 97.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -60.21 -43.48 95.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -59.2 -51.0 71.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.59 -32.45 74.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.994 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -65.0 -47.54 77.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.86 -48.03 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.94 -58.97 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -86.31 -56.76 3.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -170.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.1 t -69.25 -41.37 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -168.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.8 -6.51 42.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 54.93 41.05 32.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -100.22 153.24 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.82 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.1 p30 -75.13 -179.9 4.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.774 173.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -65.33 112.88 3.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.5 t -92.32 130.76 36.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 111.093 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -49.86 126.99 17.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.743 2.296 . . . . 0.0 112.374 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.427 ' HE3' HD13 ' A' ' 139' ' ' ILE . 43.0 ttp -146.57 141.58 27.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 77.0 t -131.1 138.15 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.148 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.422 HD11 ' HB2' ' A' ' 82' ' ' PHE . 51.9 tp -93.61 121.95 35.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 91.7 t -117.09 127.71 74.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.14 139.62 15.45 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.46 173.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -99.89 173.51 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 -174.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 60.4 35.02 20.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 171.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 98.1 m -87.2 4.9 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 -176.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -112.46 2.44 16.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.82 170.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.9 mt -104.71 164.3 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.008 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.44 91.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.41 95.43 4.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.041 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -110.08 159.9 16.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.806 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.2 t -80.12 -170.04 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.8 t -46.5 133.34 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -48.39 137.6 11.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -171.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.0 p -57.78 -30.83 65.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -168.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -65.02 -45.32 86.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 176.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -74.84 -41.18 60.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.95 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -58.0 -49.92 75.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.36 -34.85 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' A' ' 133' ' ' LEU . 0.8 OUTLIER -64.96 -38.6 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 175.454 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.463 ' HB1' HG13 ' A' ' 139' ' ' ILE . . . -68.39 -34.94 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 173.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -65.21 -25.1 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.3 p -65.02 -22.84 67.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.41 ' HB2' HG12 ' A' ' 139' ' ' ILE . 26.2 m-85 -104.93 -0.56 26.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.24 28.82 67.41 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.463 HG13 ' HB1' ' A' ' 134' ' ' ALA . 45.1 pt -120.83 157.3 55.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.688 0.756 . . . . 0.0 111.129 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.35 154.14 31.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.356 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -112.23 128.84 56.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 44.5 mm -121.0 136.13 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.407 ' O ' ' HA3' ' A' ' 151' ' ' GLY . 56.1 mt-10 -102.77 126.98 50.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.2 t -136.9 176.38 8.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 149' ' ' ARG . 31.0 t -148.9 136.01 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 177.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.93 -12.87 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.054 168.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -94.92 -68.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 -168.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.6 p -138.66 -38.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -173.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 145' ' ' SER . 76.6 ttt180 -81.82 103.7 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 -170.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -75.01 121.37 21.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 143' ' ' GLU . . . -131.63 -48.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 174.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 5.7 p -56.62 -28.24 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 0.0 111.16 -168.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.28 -44.48 71.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -67.33 -35.3 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.976 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.34 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -65.59 -42.23 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -64.34 -44.57 91.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 87.5 m -67.65 -43.59 79.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.159 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.03 -44.12 90.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.994 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.86 -38.01 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -55.06 -43.05 73.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 172.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.92 -38.07 82.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.62 -37.28 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -61.95 -26.9 68.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -84.55 -47.01 11.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.793 178.147 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.5 m -111.14 134.86 52.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -90.84 128.73 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -117.62 117.5 29.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -97.87 109.89 22.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.817 -175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.6 tp -106.6 130.04 54.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -105.49 120.41 56.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 168.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.8 t -99.98 124.96 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.9 t -130.42 143.29 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.23 178.08 45.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.22 122.64 25.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 111.043 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.75 141.83 30.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.02 -75.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.2 t -80.44 -49.66 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.85 58.36 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -52.91 -48.62 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.714 0.292 . . . . 0.0 110.838 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -64.95 -39.91 94.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.815 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.68 97.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 61.0 tp -66.37 -40.14 89.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.985 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.436 HG21 ' HB2' ' A' ' 57' ' ' ASP . 97.0 m -66.89 -44.56 80.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -72.77 -37.55 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 -173.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.8 pp0? -65.0 -23.19 67.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.9 tp -70.8 -48.71 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.446 HG23 ' HG2' ' A' ' 25' ' ' GLN . 10.2 tp -78.07 -26.51 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -176.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 97.9 mm-40 -101.57 -23.94 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -176.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.9 m-20 70.19 14.82 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -140.97 146.66 37.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -92.06 120.55 32.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.39 160.78 33.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.08 -25.25 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.1 133.43 48.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -122.27 164.3 18.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -90.1 113.34 56.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.7 168.49 24.66 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.5 p -53.78 -27.24 27.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -76.24 124.36 34.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 170.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -48.93 109.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.799 -173.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -122.82 76.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.9 p -74.98 156.72 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.756 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -124.57 143.38 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.914 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -130.51 139.98 50.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -157.44 136.49 11.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -89.92 127.31 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.9 m -138.24 164.93 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.091 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.0 t -99.78 122.66 51.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 174.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.3 mt -122.61 122.27 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 58.61 30.41 19.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.89 -0.77 89.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.424 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -109.08 129.28 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.925 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -79.11 128.14 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.2 p -146.2 167.39 23.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.1 tp -116.93 120.99 40.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.4 mt -104.35 131.71 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -123.31 109.9 14.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 172.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.42 HD12 ' HB ' ' A' ' 24' ' ' ILE . 75.9 mt -113.24 126.63 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 -171.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 tp -116.26 122.37 44.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' HB2' HG21 ' A' ' 20' ' ' THR . 37.0 t70 -85.21 133.77 34.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.8 173.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.2 p -86.75 158.43 19.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.39 131.33 15.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.069 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.61 62.39 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.2 pm0 -64.16 -18.89 64.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 110.876 -173.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.98 -36.4 77.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.3 mt-10 -118.47 42.52 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 -173.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.547 ' C ' ' O ' ' A' ' 63' ' ' GLU . 66.9 m-85 -27.1 125.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.963 -175.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.1 t -79.96 148.99 30.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.793 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.79 -27.71 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.074 172.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.8 mtm -66.52 -36.95 83.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.884 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -76.98 -38.01 54.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 72' ' ' MET . 99.1 m-20 -59.79 -29.18 68.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -55.26 -52.19 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -74.0 -35.83 64.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.415 ' HB2' ' HA ' ' A' ' 69' ' ' ASP . 74.2 mtp -63.49 -38.32 90.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -176.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -69.76 -32.52 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.981 0.42 . . . . 0.0 110.923 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.5 m -72.96 -47.98 40.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.584 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 75.1 27.28 64.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.413 166.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -50.78 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.78 151.86 20.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.464 168.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -144.05 126.79 16.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 0.0 110.812 -175.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.3 tp -111.38 125.09 53.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.882 -176.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.5 m -106.23 116.85 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.1 t -114.32 125.16 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' HB2' ' OG ' ' A' ' 89' ' ' SER . 44.6 p90 -147.51 162.19 39.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -84.55 140.0 31.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.7 tp -80.4 -20.13 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' A' ' 121' ' ' ALA . 55.6 p30 -104.37 -15.82 15.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -173.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.521 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 38.4 t-20 -88.32 113.33 23.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 172.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.5 m -64.27 -44.27 92.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.7 -28.93 68.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.407 ' OG ' ' HB2' ' A' ' 82' ' ' PHE . 9.6 t -58.24 -33.19 69.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -61.03 -42.63 98.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.26 -33.02 71.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.64 -30.46 67.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -176.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.8 mm -62.31 -44.22 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -63.52 -42.75 98.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.791 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -65.09 -47.36 77.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -64.43 -42.4 96.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.28 -50.32 74.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.032 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -71.66 -40.83 69.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -67.86 -47.64 68.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.6 mt -56.85 -46.94 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.76 -44.01 81.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -70.39 -43.4 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.07 -41.99 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 -173.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -87.33 -2.21 58.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 55.0 43.04 30.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 172.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.1 m -135.99 174.11 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -176.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -75.04 175.97 7.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -177.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -84.49 121.01 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.584 HG11 ' HA3' ' A' ' 75' ' ' GLY . 31.4 m -95.92 155.68 38.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 111.139 -174.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.83 135.94 46.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.611 2.208 . . . . 0.0 112.311 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 24.2 ptp -147.05 159.98 42.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.7 t -121.97 133.92 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.156 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.2 mp -96.93 127.28 42.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.2 t -124.6 126.92 72.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -86.51 136.45 14.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -110.05 166.73 10.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 58.84 57.04 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 173.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.0 m -86.58 -27.08 24.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -103.02 -9.86 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 79.1 mt -101.69 130.47 48.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.48 ' HB3' ' ND2' ' A' ' 85' ' ' ASN . . . 49.53 85.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.048 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.54 142.61 48.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -120.06 178.24 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.872 -172.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.5 p -125.03 73.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 168.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 83.9 t -120.26 134.25 64.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -69.17 122.34 18.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.8 p -64.87 -26.54 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.85 -39.27 91.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -68.32 -45.15 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.91 96.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -69.51 -45.49 68.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.437 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 89.4 m-20 -59.93 -30.16 68.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.818 -178.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 68.6 tp -58.24 -47.07 84.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 141' ' ' TYR . . . -73.61 -33.44 64.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 176.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.437 ' HB2' ' HA ' ' A' ' 132' ' ' ASP . 99.2 mtt180 -65.5 -32.04 73.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -177.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.2 p -65.12 -23.91 67.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -102.83 4.69 38.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.957 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.7 38.89 41.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.0 tp -143.19 132.24 11.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.089 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.72 147.32 24.73 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.707 2.272 . . . . 0.0 112.393 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.499 ' HB2' ' HB3' ' A' ' 134' ' ' ALA . 57.4 t80 -107.36 133.58 51.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -172.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 96.4 mt -116.98 132.31 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -110.0 128.77 55.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.974 173.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.8 t -150.39 -179.87 7.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.455 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 58.2 m -129.87 121.41 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 171.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.71 -25.96 66.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 -172.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.19 -50.01 65.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -171.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.4 p -124.78 -16.78 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -169.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.455 ' HB2' ' H ' ' A' ' 145' ' ' SER . 93.5 mtt-85 -113.32 147.94 36.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -169.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -99.91 110.32 22.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 168.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.2 -27.67 2.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.42 174.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.53 -26.84 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.163 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.78 -47.2 86.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.887 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.89 -35.17 79.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.55 94.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.46 -37.85 83.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -61.52 -36.89 81.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.2 m -63.45 -42.68 98.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 74.1 mt -61.74 -41.8 98.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.83 -43.88 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.069 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.49 -40.14 96.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -65.04 -41.28 95.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.54 -41.4 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.5 -34.37 78.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -70.68 -44.52 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 62.1 m170 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.1 m -79.47 130.1 35.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.071 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -97.88 130.59 44.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -119.59 127.76 53.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.6 100.02 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.801 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.667 ' CD2' ' HA3' ' A' ' 77' ' ' GLY . 44.3 mt -109.39 125.81 52.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -169.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.7 t -103.88 124.01 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.17 128.67 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m -123.0 161.67 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.06 152.37 5.63 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.31 142.48 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.129 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.51 132.38 27.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.541 175.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.03 -54.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.587 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.6 t -108.13 -57.01 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.88 55.05 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 2.1 tmmm? -50.27 -66.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.6 t -69.98 -39.94 75.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.7 94.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -170.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 87.2 mt -65.84 -33.17 75.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.0 m -70.87 -41.88 70.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.0 mt -67.83 -40.91 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -174.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.8 pp0? -62.78 -24.01 67.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -172.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.6 tp -66.18 -44.32 84.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 97.2 mt -80.85 -36.76 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.099 -175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 99.5 mm-40 -96.67 -12.46 23.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -175.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.7 m-20 69.2 15.08 8.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -140.38 139.31 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -102.09 119.74 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 m -124.93 165.13 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -78.49 -11.95 59.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.71 152.41 37.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -137.64 162.5 33.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.979 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -64.78 115.13 17.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.552 0.691 . . . . 0.0 110.902 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.27 166.47 28.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.741 2.294 . . . . 0.0 112.314 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.5 p -55.28 -27.53 47.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 172.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.66 131.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 173.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -47.36 111.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.833 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -142.64 62.77 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 172.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -77.22 158.13 30.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -126.49 144.71 50.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -122.72 141.06 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.888 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -141.49 129.51 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -95.08 123.64 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -137.47 159.96 35.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -173.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -107.73 121.08 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 170.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.2 mt -123.34 121.08 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 56.09 32.4 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.65 -2.07 88.34 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -102.09 118.85 37.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.9 m -77.18 129.18 35.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.157 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -148.64 160.0 43.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.1 tp -111.96 121.73 45.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.2 mt -94.94 110.17 22.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -94.87 108.3 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 174.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.9 mm -105.92 119.2 54.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.081 -168.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 68' ' ' ARG . 69.7 tp -116.92 117.01 28.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.963 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -89.75 139.63 30.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.487 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 67.6 p -85.78 147.35 26.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -155.82 129.67 8.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.049 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.53 49.88 57.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.422 -169.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -59.79 -22.42 62.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.682 0.277 . . . . 0.0 110.812 -167.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.0 -30.27 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.593 ' O ' ' C ' ' A' ' 64' ' ' TYR . 67.7 mm-40 -99.96 33.94 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.593 ' C ' ' O ' ' A' ' 63' ' ' GLU . 66.2 m-85 -20.9 108.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.6 p -79.63 154.85 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.98 -32.83 74.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.065 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -63.82 -44.9 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.881 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.487 ' HE ' ' HA ' ' A' ' 58' ' ' THR . 71.2 mtt85 -75.46 -29.75 59.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.897 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.74 -31.3 72.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.93 -51.53 69.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -72.56 -35.61 68.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.403 ' SD ' HG23 ' A' ' 100' ' ' ILE . 59.9 ttm -64.87 -43.15 93.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -69.75 -30.45 68.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -174.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.9 m -78.68 -49.93 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.88 27.73 64.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.487 165.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -46.79 -48.57 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -177.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.667 ' HA3' ' CD2' ' A' ' 6' ' ' LEU . . . -141.91 153.9 24.54 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 172.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -144.99 116.14 7.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -171.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.3 tp -117.71 125.07 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.465 ' HB3' HD23 ' A' ' 113' ' ' LEU . 42.4 t -107.25 121.36 44.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.1 t -105.29 128.01 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -147.98 178.28 8.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.96 138.22 40.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.6 mt -79.68 -29.94 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -83.67 -19.67 34.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -91.51 115.0 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.0 m -65.91 -43.52 87.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.29 -27.43 67.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.1 t -59.07 -35.92 74.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -66.29 -37.65 85.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -71.45 -32.62 68.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.54 -43.41 98.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.0 pt -73.59 -24.91 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -61.78 -43.25 99.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 169.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -68.89 -40.11 79.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -54.16 -45.09 71.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -57.26 -51.98 67.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.916 -173.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -70.71 -45.16 65.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.444 ' O ' HG23 ' A' ' 103' ' ' VAL . 31.2 tt0 -65.71 -49.04 69.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -174.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.403 HG23 ' SD ' ' A' ' 72' ' ' MET . 90.7 mt -60.2 -42.55 90.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 176.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.95 -43.21 91.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.971 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -65.7 -37.49 86.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 99' ' ' GLN . 64.2 t -67.48 -43.3 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -80.74 -10.28 59.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 55.99 37.39 28.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 174.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.5 m -135.81 171.26 14.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -174.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -77.16 -179.93 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -81.98 109.63 16.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.801 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' A' ' 111' ' ' MET . 31.6 m -85.84 160.95 51.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 111.089 177.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -52.06 128.51 27.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 177.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 109' ' ' VAL . 65.0 mtt -125.2 159.18 32.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.3 t -131.55 136.65 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 163.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' A' ' 80' ' ' CYS . 82.0 mt -98.17 123.84 42.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 175.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 114' ' ' VAL . 10.7 p -125.22 126.12 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 177.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.1 142.14 17.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -97.59 170.05 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.917 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 68.04 40.77 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 53.8 t -67.38 -45.65 75.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 171.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -104.09 -14.03 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.6 mt -95.31 163.18 13.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 54.96 84.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 177.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.55 113.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.426 ' HG3' ' H ' ' A' ' 124' ' ' THR . 20.4 tpt85 -139.74 172.37 12.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.426 ' H ' ' HG3' ' A' ' 123' ' ' ARG . 61.7 p -120.54 73.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 174.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 96.5 t -118.49 118.49 58.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 173.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -70.68 126.92 30.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.1 m -63.94 -33.52 75.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.88 -39.68 93.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.07 -47.41 71.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.91 82.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -66.28 -45.47 80.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.13 -34.24 76.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.52 -39.3 93.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.011 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.621 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -67.18 -38.39 85.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -66.14 -29.88 70.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -174.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.1 p -64.61 -23.94 67.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -105.0 -1.14 26.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.35 28.83 67.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.621 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 90.0 mt -112.61 131.15 22.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.624 0.726 . . . . 0.0 111.115 -173.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.07 144.52 68.71 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.739 2.293 . . . . 0.0 112.266 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -115.96 120.57 39.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.1 mm -118.01 132.27 68.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -109.85 134.5 51.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.457 ' CB ' ' HA3' ' A' ' 151' ' ' GLY . 14.6 t -143.04 177.58 8.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.489 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 36.5 t -143.16 123.21 13.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.45 -20.93 49.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HG2' HG23 ' A' ' 148' ' ' THR . 86.0 tttt -55.76 -63.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 147' ' ' LYS . 62.2 p -133.19 -21.65 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.489 ' HB2' ' H ' ' A' ' 145' ' ' SER . 93.7 mtt-85 -79.0 134.62 36.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -167.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -89.64 111.02 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 165.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -110.47 -29.9 3.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.41 -41.0 91.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 111.16 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.31 -48.43 81.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.93 -35.32 80.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.18 94.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -63.54 -41.7 98.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -64.41 -40.96 96.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.5 m -66.93 -39.17 87.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 173.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.47 -46.86 81.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -173.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.26 -28.31 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.38 -41.16 94.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 172.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -68.69 -35.91 77.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.41 -42.66 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -71.77 -22.71 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -80.0 -59.95 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.807 -177.483 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.4 m -92.8 120.76 33.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.16 143.08 51.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -116.74 129.58 56.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.023 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -99.98 115.17 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -111.53 127.92 55.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.924 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.0 t -105.7 123.24 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.7 t -98.73 120.8 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.1 t -133.32 142.79 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.621 ' HA3' ' HB ' ' A' ' 81' ' ' VAL . . . 173.14 -174.39 45.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HB3' HG21 ' A' ' 14' ' ' VAL . . . -67.49 137.5 55.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.116 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.32 141.91 34.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.07 17.95 73.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.461 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.461 HG21 ' HB3' ' A' ' 11' ' ' ALA . 88.1 t -104.74 -63.79 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.118 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.37 54.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -77.13 -48.15 18.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.802 0.334 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.406 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 39.8 t -71.22 -41.33 70.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.771 171.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.88 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -171.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.61 -33.06 73.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.6 m -64.46 -42.19 96.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.43 -38.4 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 32.6 tp60 -60.09 -31.42 70.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.59 -45.97 18.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 175.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.0 mm -80.04 -51.43 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -170.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -97.96 -22.88 16.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.482 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 14.7 m120 69.54 34.97 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 175.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -159.84 142.15 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -89.29 116.42 27.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.801 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.72 166.48 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -88.01 8.3 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -89.99 79.06 6.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 24.8 t80 -80.65 135.8 36.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -61.98 145.4 92.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.688 . . . . 0.0 110.896 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.89 158.45 51.12 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -40.56 -52.14 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -107.89 130.01 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -158.89 155.72 28.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -76.22 171.39 14.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.418 ' HB3' HD13 ' A' ' 56' ' ' LEU . 99.7 p -80.05 160.9 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -124.67 143.81 50.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -133.14 144.45 49.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 -171.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -150.44 142.27 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -69.96 124.4 23.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -137.28 164.97 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.41 120.13 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 172.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -125.23 121.59 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t0 57.02 35.34 26.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -174.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.67 -0.76 85.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.539 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -108.06 130.08 55.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.88 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -70.7 127.49 32.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 175.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.3 p -152.9 173.75 14.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.9 tp -105.02 120.04 40.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.5 tp -97.82 114.94 27.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -108.61 112.53 24.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.1 mt -107.31 122.23 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -172.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD13 ' HB3' ' A' ' 39' ' ' SER . 51.3 tp -110.47 124.79 52.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.986 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -86.14 150.22 24.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.1 p -88.5 164.28 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 62' ' ' GLU . . . -139.46 85.51 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.77 -117.08 9.73 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.547 176.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -85.65 -11.18 54.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.94 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 70.9 mm-40 -73.19 -9.23 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 174.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -54.38 -20.03 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -109.96 77.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -137.15 176.33 8.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.28 75.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.187 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.5 mtp -65.05 -42.34 94.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 177.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.412 ' HD3' HD21 ' A' ' 56' ' ' LEU . 1.8 mpp_? -76.22 -32.41 58.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -176.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.8 -39.56 94.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.45 -47.19 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -176.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -76.31 -46.54 27.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.985 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.1 tpt -65.13 -31.89 73.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.813 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.13 -39.28 92.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 63.4 m -80.03 -46.62 16.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.44 27.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 168.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -74.22 -46.0 44.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.76 162.59 28.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.457 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -153.39 129.17 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -175.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.5 tp -111.56 126.01 54.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.946 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 76.6 m -103.31 122.41 44.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.621 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 58.4 t -108.41 118.46 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 -174.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.19 146.55 39.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.29 151.13 21.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.423 HG13 ' HB2' ' A' ' 123' ' ' ARG . 2.5 tp -89.17 -26.08 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -177.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.4 p-10 -97.14 -38.79 9.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -173.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -84.96 99.97 11.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -59.26 -36.44 75.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.51 -24.95 67.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -58.46 -37.53 75.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.913 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -63.28 -43.2 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.95 -42.94 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.23 -40.91 94.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.73 -39.93 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -57.83 -44.03 86.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -65.06 -41.22 95.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -59.71 -38.27 81.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -57.98 -48.33 80.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.53 -33.78 74.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -65.38 -45.42 84.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.984 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.44 -42.22 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.51 -43.69 80.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.98 -37.74 84.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.895 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.99 -40.07 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -84.46 -15.95 44.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 177.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 61.76 29.35 18.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -173.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.9 t -176.7 145.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.812 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -136.13 104.95 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -136.57 75.66 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 173.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.44 130.06 6.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.681 0.753 . . . . 0.0 111.067 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.5 134.22 23.96 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.629 2.22 . . . . 0.0 112.347 172.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 23.4 ptp -135.11 154.96 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -174.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.43 ' HA ' HD13 ' A' ' 139' ' ' ILE . 9.7 p -128.18 139.98 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.7 mt -97.85 116.25 29.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.006 -173.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.9 t -126.8 125.62 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.22 144.12 16.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.543 175.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -98.76 170.01 9.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 54.36 35.37 22.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.2 m -75.01 -8.59 56.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -94.89 0.92 55.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 tp -80.62 121.64 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.17 93.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.71 86.47 4.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.04 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.423 ' HB2' HG13 ' A' ' 84' ' ' ILE . 35.7 ptt-85 -145.34 155.22 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.855 -176.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.0 p -132.97 75.02 1.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 67.9 t -124.21 115.0 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -82.15 126.93 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 174.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.2 p -62.87 -29.85 71.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.72 -36.51 84.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -66.44 -45.26 80.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.66 95.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -66.61 -46.41 75.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.38 -41.93 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.82 -41.17 83.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.06 91.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.68 -32.88 70.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 71.5 m -67.45 -34.06 76.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -103.73 -0.79 28.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.34 34.09 86.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 112' ' ' VAL . 20.4 tt -156.32 132.36 5.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.708 0.766 . . . . 0.0 111.128 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 74.2 Cg_exo -54.97 147.62 51.54 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 -178.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -84.95 132.9 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.1 mm -109.25 133.23 55.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 -172.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -107.13 129.7 54.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.415 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 14.9 t -141.97 165.85 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 176.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.436 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 27.6 t -135.85 116.21 13.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 168.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.85 -22.34 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.121 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' A' ' 148' ' ' THR . 85.8 tttt -60.0 -62.85 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -174.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 147' ' ' LYS . 77.0 p -130.17 -24.51 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.436 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 45.0 ttt85 -90.02 130.01 36.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -166.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -96.76 101.0 12.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.415 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -109.03 -8.55 27.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.74 -41.32 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -57.29 -44.3 83.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.29 -39.92 89.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.63 94.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -65.27 -42.74 92.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -62.76 -40.22 96.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.965 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 92.5 m -68.97 -40.01 79.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.78 -47.73 82.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.999 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.94 -32.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.198 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.22 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -69.96 -35.51 74.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.01 -46.55 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.94 -23.01 63.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -174.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -89.69 -50.08 6.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.962 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.2 m -89.26 127.06 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.14 140.31 53.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -115.08 130.46 56.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.937 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -112.08 104.88 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -176.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.3 tp -104.95 116.42 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.6 t -99.86 119.41 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.9 t -106.53 117.0 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.53 142.16 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.073 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.73 -166.79 36.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.95 119.24 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.141 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.09 153.01 30.33 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.86 5.84 83.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 175.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.2 t -101.79 -70.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.813 0.339 . . . . 0.0 111.154 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.54 54.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.555 170.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -70.43 -53.25 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.7 p -68.17 -32.75 73.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.791 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 29' ' ' VAL . . . -63.09 -38.25 90.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.595 HD11 ' HA3' ' A' ' 151' ' ' GLY . 36.7 tp -67.58 -41.59 83.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.8 p -68.15 -17.47 64.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.5 mm -56.23 -30.04 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 17.0 tp60 -56.57 -39.78 74.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.86 -38.68 37.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mm -80.74 -52.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 -171.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.569 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 93.0 mm-40 -107.08 -14.99 14.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -172.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.569 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.5 m-20 80.04 36.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 172.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -158.15 165.02 36.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 171.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 22' ' ' GLN . 73.9 m-85 -104.91 128.6 53.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -177.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.503 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 30.5 m -133.16 160.0 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.053 172.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -100.27 9.97 41.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -94.18 94.12 8.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -90.02 161.22 15.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.999 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.432 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 95.4 m-20 -66.61 149.97 97.78 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.522 0.677 . . . . 0.0 110.932 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -50.25 154.01 6.31 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.626 2.218 . . . . 0.0 112.392 173.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 m -46.42 -42.02 14.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.0 mt -108.1 107.09 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.15 172.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HB3' ' HB3' ' A' ' 33' ' ' ASP . 7.3 tp10 -170.02 153.29 4.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -178.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -82.51 169.98 15.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.8 p -111.16 174.27 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -112.23 152.6 28.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -162.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp85 -129.25 150.12 50.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.856 174.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -146.83 136.65 23.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -172.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -76.43 124.24 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 173.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.6 161.88 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -171.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -107.33 123.73 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 171.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.23 118.97 56.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 55.0 34.26 22.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -176.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.11 -3.06 87.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.506 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -97.27 122.09 39.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -79.31 124.98 28.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 177.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.6 p -152.88 171.18 18.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -172.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -105.7 120.95 42.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.3 tp -97.87 111.1 23.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -102.32 112.7 25.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.1 mt -104.75 117.98 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -104.82 110.67 23.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -100.0 128.09 46.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.8 p -94.64 160.66 14.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.52 133.14 27.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.2 -115.25 7.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.467 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -108.18 16.77 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -65.29 -31.52 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.7 pm0 -60.31 -20.88 60.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -172.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -94.92 87.87 5.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 174.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.9 p -165.15 163.08 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.53 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mmm -64.03 -37.11 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -79.84 -36.07 37.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.07 -39.3 71.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -55.52 -44.35 76.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -74.22 -35.56 63.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.0 mmm -66.27 -25.8 67.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -60.93 -33.36 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.6 m -87.04 -50.02 6.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.594 ' HA3' HG22 ' A' ' 109' ' ' VAL . . . 73.6 39.71 48.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 166.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -61.65 -57.58 11.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.18 158.33 27.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 176.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -143.55 127.79 17.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.5 tp -110.43 121.02 44.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.964 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.0 t -105.59 115.86 30.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 178.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.57 123.67 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -170.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -110.6 152.84 25.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.7 135.87 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 164.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.5 pt -87.48 -13.83 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -170.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -94.87 -38.89 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 -177.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -88.3 103.62 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.4 m -58.93 -37.55 76.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.27 -27.41 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -174.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.1 m -60.56 -38.46 84.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -63.32 -43.69 97.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.815 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.29 -43.46 70.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.68 -42.25 95.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.0 -40.11 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -56.87 -43.92 81.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.96 -41.95 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -57.05 -40.93 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -62.67 -43.13 99.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.864 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.02 -38.77 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -65.9 -46.4 78.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.22 -41.58 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.92 -41.76 83.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.72 -35.12 79.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.39 -40.06 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -88.39 -12.86 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 62.29 25.64 15.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -175.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.2 t -179.1 147.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -121.93 110.76 16.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 171.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -129.96 36.26 4.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 171.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.594 HG22 ' HA3' ' A' ' 75' ' ' GLY . 80.8 t -119.41 121.52 30.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.697 0.761 . . . . 0.0 111.086 -174.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -68.64 136.61 36.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 27.8 ptm -138.83 153.47 48.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.1 t -125.02 136.27 61.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.45 HD13 ' HG ' ' A' ' 133' ' ' LEU . 31.5 mt -95.2 114.57 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -174.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.3 t -129.56 129.82 66.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.81 151.23 18.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 170.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -100.02 170.09 8.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 58.12 45.09 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 174.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.2 p -67.17 -17.58 64.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.914 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -93.44 0.63 56.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.1 tp -85.08 119.77 25.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.14 89.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.066 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.22 119.43 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -165.84 153.5 10.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.4 p -135.05 70.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.9 t -124.58 119.77 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -78.76 132.84 37.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.8 p -63.56 -31.86 73.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.97 -37.47 87.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -66.92 -42.78 84.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.0 94.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -65.11 -49.78 68.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.08 -35.31 79.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.45 ' HG ' HD13 ' A' ' 113' ' ' LEU . 55.1 tp -62.79 -46.03 89.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.21 94.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.21 -31.7 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 96.0 p -67.67 -29.9 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.783 -176.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -109.49 -1.12 18.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -178.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.51 29.06 71.72 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.407 175.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 139' ' ' ILE . 4.3 tp -149.98 126.76 5.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.7 0.762 . . . . 0.0 111.122 -176.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 72.6 Cg_exo -54.83 145.01 63.69 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.287 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -94.6 125.82 39.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 48.1 pt -120.23 148.64 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.115 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -106.28 128.61 54.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 30.4 p -134.4 178.84 6.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.208 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.443 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 46.4 t -138.5 122.11 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 173.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.91 63.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.161 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -73.91 -52.15 13.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -166.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 66.6 p -129.38 -27.78 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.2 -171.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.443 ' HB2' ' H ' ' A' ' 145' ' ' SER . 40.0 mmt180 -88.24 151.26 22.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -164.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.11 116.42 10.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 176.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.595 ' HA3' HD11 ' A' ' 19' ' ' LEU . . . -125.58 -98.23 1.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 -172.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.455 ' HB ' ' HG ' ' A' ' 19' ' ' LEU . 13.3 p -53.55 -30.27 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 -173.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -56.26 -47.59 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.55 -41.67 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.52 93.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.89 -37.32 84.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -59.87 -40.94 90.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.3 m -62.03 -42.85 99.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.32 -46.39 83.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -176.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 32.7 m -73.25 -28.03 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.45 -39.66 94.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.84 -39.95 83.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.34 -45.89 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -70.51 -41.72 72.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.819 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -74.73 -35.03 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 174.746 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.4 m -92.46 123.59 35.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -125.61 145.03 50.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.845 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -118.54 111.54 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.001 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.14 100.11 12.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.1 tp -107.53 119.76 40.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.7 t -98.58 118.99 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.15 125.05 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.1 m -134.18 156.25 40.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.468 ' HA3' ' HB ' ' A' ' 81' ' ' VAL . . . -172.76 -177.1 41.86 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.66 136.91 50.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.094 -173.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.79 93.84 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.42 11.55 3.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 172.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -92.13 -65.96 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.04 72.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.491 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -73.96 -49.97 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 -170.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -65.11 -40.02 93.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.04 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.48 -38.07 88.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.438 ' HB ' HG21 ' A' ' 55' ' ' ILE . 76.0 p -65.15 -26.51 68.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -176.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.34 -27.88 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.504 ' HG3' ' HB2' ' A' ' 153' ' ' GLU . 8.5 tp-100 -56.23 -32.76 64.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.39 -42.76 29.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mm -80.03 -56.82 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -166.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -113.15 -5.08 13.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 14.1 m120 68.36 48.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 175.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -159.97 147.46 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -176.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -103.99 120.89 42.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 173.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.03 154.28 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 -168.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -98.19 -21.14 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -81.05 82.69 6.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -73.38 142.15 46.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -169.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -69.85 153.58 95.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -60.4 156.47 40.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.7 m -45.66 -45.02 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.911 -174.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -101.02 126.87 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 175.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -159.55 154.85 25.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -75.28 170.03 16.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.6 p -83.45 170.2 14.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -122.05 145.63 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.86 147.24 51.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -150.95 134.62 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -73.9 124.95 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 53' ' ' LEU . 32.6 m -137.61 166.06 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 -175.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -107.69 122.57 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 171.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 87.8 mt -127.12 127.15 69.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 89.9 m-20 64.63 22.64 12.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -175.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.44 0.76 89.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -108.98 131.27 55.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.91 0.386 . . . . 0.0 110.85 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.4 m -68.6 129.22 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.196 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 p -153.76 174.95 13.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.1 tp -106.57 123.74 48.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' HB2' HG21 ' A' ' 44' ' ' VAL . 57.7 tp -94.24 118.07 31.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -108.12 116.4 31.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.438 HG21 ' HB ' ' A' ' 20' ' ' THR . 42.7 mm -100.77 117.85 46.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.3 tm? -100.01 115.46 29.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -102.69 132.6 48.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 174.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 p -80.79 158.0 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -144.78 86.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.26 -110.98 3.78 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -96.08 2.12 53.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -62.97 -32.08 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -59.42 -21.03 59.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -97.46 77.82 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.027 174.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -151.38 165.46 34.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.53 -32.44 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.7 mtp -64.37 -42.84 95.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -79.98 -24.25 41.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.35 -36.52 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -65.12 -43.44 91.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -63.85 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.6 tpp -68.46 -34.16 75.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.896 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -60.35 -36.3 77.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -175.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -87.5 -53.31 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.212 173.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.31 29.98 75.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.479 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -44.06 -48.98 8.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -170.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.75 154.42 25.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.452 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -130.09 132.42 46.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.915 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 57.9 tp -110.18 126.41 54.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.7 m -105.63 124.4 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.468 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 95.6 t -106.71 134.12 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.452 ' HB2' HD11 ' A' ' 113' ' ' LEU . 92.9 t80 -123.22 138.76 54.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.81 134.17 42.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 175.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.1 tp -79.67 -20.05 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -98.87 -36.23 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -82.71 101.36 10.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.2 m -57.89 -36.37 72.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.17 -26.21 60.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.9 t -52.52 -37.42 57.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -175.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -59.58 -42.92 93.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.57 -37.02 86.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 87.1 m-20 -64.08 -48.65 75.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.9 pt -72.66 -25.61 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.6 -50.24 72.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 8.4 pt20 -70.09 -30.18 67.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -59.8 -45.4 92.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -62.27 -46.2 89.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.44 -38.82 88.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.51 -47.24 79.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.5 mt -56.15 -43.52 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.216 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.03 -45.12 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -65.61 -39.02 91.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -171.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.85 -39.6 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -95.85 -7.3 37.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 60.51 30.45 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 t -174.98 143.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -174.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -135.99 110.59 8.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 173.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -135.35 48.34 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 168.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.87 120.38 19.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 111.141 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.0 131.79 48.51 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 65.5 mtt -121.87 153.81 37.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.6 134.4 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 82' ' ' PHE . 37.9 tp -103.64 125.04 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 178.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 114' ' ' VAL . 8.5 p -119.33 125.02 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.06 137.42 13.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.555 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -94.69 156.74 16.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 99.4 mttt 46.49 50.8 12.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.5 p -68.94 -17.48 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -91.89 -3.85 55.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.506 ' HB2' ' HB3' ' A' ' 117' ' ' LYS . 55.7 tp -65.13 130.43 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -89.63 -34.29 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.003 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.26 85.37 7.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.081 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -159.98 173.18 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 -175.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.2 p -125.09 24.37 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.136 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.39 133.52 52.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -85.41 129.6 34.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 167.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.5 p -62.21 -28.74 69.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -175.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.85 -38.34 90.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.934 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -68.73 -43.34 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.48 -34.92 73.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 177.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -64.74 -45.27 87.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -63.36 -33.74 76.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.86 -36.65 80.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.949 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.04 77.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 172.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.27 -32.48 73.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.5 p -67.62 -22.52 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.402 ' HB2' HG12 ' A' ' 139' ' ' ILE . 77.9 m-85 -99.18 -4.03 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.85 26.9 65.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.42 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.402 HG12 ' HB2' ' A' ' 137' ' ' TYR . 43.2 pt -125.17 153.4 71.66 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.68 0.752 . . . . 0.0 111.034 -174.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.29 151.67 54.66 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -118.77 129.39 55.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 73.0 mt -117.88 134.89 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.05 115.51 27.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 41.7 p -135.22 -179.78 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -154.04 118.16 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.809 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.09 -22.89 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.066 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -71.63 -50.87 26.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -171.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 80.7 p -125.12 -20.85 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 -171.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -105.72 172.34 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -170.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -86.82 132.59 33.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 166.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -115.23 -82.52 1.03 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -173.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.46 -39.95 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 111.119 -176.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.504 ' HB2' ' HG3' ' A' ' 22' ' ' GLN . 88.5 tt0 -56.87 -45.16 82.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -66.97 -41.93 86.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.66 85.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.33 -40.26 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -61.46 -40.11 93.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 98.1 m -66.96 -40.57 87.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.102 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.5 mt -59.33 -45.44 91.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.22 -45.03 99.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.05 -47.21 83.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -79.3 -48.0 14.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -174.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.0 -46.58 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 -172.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -71.59 -24.58 61.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -80.0 -60.01 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -177.566 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.889 0.376 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -96.96 117.93 32.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -142.62 120.44 11.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -119.74 142.33 48.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 175.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -103.64 112.21 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mp -116.55 132.48 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.703 HG21 ' HB3' ' A' ' 71' ' ' TYR . 53.0 t -119.41 132.5 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 178.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.9 t -98.26 119.91 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.64 165.71 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.4 -173.43 41.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.419 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.01 145.1 54.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 111.036 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.45 130.69 40.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.68 -21.46 40.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 175.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.63 -69.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 111.042 -172.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.94 69.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.444 174.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -50.01 12.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.7 m -72.77 -29.89 63.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.91 -39.2 68.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 tp -69.62 -45.33 68.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.9 p -65.76 -30.98 71.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.1 mm -75.95 -37.99 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 172.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 28.5 tp60 -63.99 -38.11 89.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.973 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.3 -48.19 20.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -88.58 -46.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -170.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -101.1 -9.12 21.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -174.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 96.3 m-20 68.65 34.27 3.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -135.67 149.42 49.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -112.96 105.3 13.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 174.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.22 160.6 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.198 -171.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -95.31 9.39 40.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -82.01 81.38 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -75.25 150.04 38.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.004 -170.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -75.6 151.01 84.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.83 -169.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.9 163.43 33.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.395 175.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.525 ' HB3' ' HA3' ' A' ' 60' ' ' GLY . 92.5 p -65.41 -15.09 62.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.81 129.9 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.184 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -48.67 110.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -133.73 74.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.7 p -78.61 158.86 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -127.03 159.84 32.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.91 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -123.96 138.13 54.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -141.27 132.72 26.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -172.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -108.79 130.13 55.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 175.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.06 159.36 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -173.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -109.76 123.21 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.2 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -126.31 113.87 35.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.31 34.31 17.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.09 -0.06 88.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -96.05 134.34 39.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.855 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.8 m -83.31 122.46 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.181 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.0 m -128.46 141.24 51.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -177.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.4 tp -115.41 129.51 56.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.897 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 pp -137.22 149.87 47.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -102.23 133.85 46.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.4 mt -105.62 120.2 56.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.501 ' HB2' HG22 ' A' ' 7' ' ' VAL . 80.0 mt -103.89 125.67 50.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 176.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -92.39 163.36 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -177.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.8 m -111.47 130.56 55.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -170.3 141.14 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.525 ' HA3' ' HB3' ' A' ' 35' ' ' SER . . . 79.17 29.51 50.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 169.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -167.46 149.29 5.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.343 . . . . 0.0 110.843 175.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -75.38 -44.72 43.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.39 -60.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -171.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -169.09 142.75 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.985 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 t -99.87 -162.62 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 168.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.31 -34.95 77.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.7 mtp -65.01 -42.55 94.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.3 -22.3 30.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -174.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.35 -27.16 69.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -62.33 -51.38 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -174.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.703 ' HB3' HG21 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -68.06 -27.02 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -177.572 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.1 mtp -64.49 -37.42 87.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 172.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -69.68 -43.04 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.9 p -94.73 -54.06 3.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -171.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.453 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 81.73 23.27 58.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -176.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.57 -44.5 93.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.985 0.421 . . . . 0.0 110.887 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.02 145.13 4.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -155.73 152.35 28.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.419 . . . . 0.0 110.827 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.0 tp -102.1 128.54 48.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 -176.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.49 113.55 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.1 m -114.91 138.53 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -140.95 161.54 37.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.76 132.23 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.6 tp -74.86 -19.89 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.15 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -91.5 -17.92 24.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -175.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -91.86 113.55 25.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.9 m -68.42 -44.38 75.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.65 -34.72 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -173.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.9 m -61.51 -38.84 88.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.004 0.43 . . . . 0.0 110.847 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -60.28 -41.5 93.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -71.16 -38.68 72.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.19 -40.63 94.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.833 -171.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.7 pt -67.37 -32.42 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -65.91 -48.8 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 174.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.22 -43.05 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.49 -48.75 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -60.73 -45.02 95.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.904 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.95 -35.96 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -68.8 -52.62 28.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -175.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.1 pt -62.36 -31.67 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.68 -44.54 96.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.27 -36.83 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.01 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -94.98 2.16 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 47.95 45.07 19.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.7 m -113.49 161.27 17.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -170.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -85.3 -175.13 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -70.41 119.86 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.453 HG11 ' HA3' ' A' ' 75' ' ' GLY . 30.9 m -112.49 158.94 35.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.089 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -54.45 128.44 30.15 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 -177.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 66.1 ttp -152.1 152.07 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.9 t -124.89 131.19 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.131 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.4 tp -105.23 122.12 45.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -174.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.3 128.49 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 -173.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.24 133.59 11.37 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.5 170.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -95.38 175.07 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 -173.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 47.15 47.42 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 173.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 25.3 p -73.48 -7.83 53.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -96.69 -7.06 35.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 175.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.6 tp -74.84 128.43 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.52 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.92 88.17 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -128.32 169.12 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 10.9 t -84.4 -166.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 168.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.8 p -40.05 136.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.17 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -52.77 153.65 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -163.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.5 p -63.04 -18.2 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -60.27 -33.95 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -64.93 -39.8 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.85 78.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.6 -47.01 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.54 -35.88 80.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.93 -43.72 91.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 176.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.31 86.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 175.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.43 -37.37 86.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.3 p -66.67 -23.59 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.453 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.8 m-30 -93.19 -6.88 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 178.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.26 28.79 67.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.515 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.462 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 46.0 pt -127.41 160.06 62.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 111.093 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 77.6 Cg_endo -72.58 150.79 51.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.365 175.095 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -116.48 134.08 55.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 42.8 mm -109.84 128.28 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -106.28 122.7 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 171.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.573 HG21 ' HA3' ' A' ' 151' ' ' GLY . 14.6 t -143.52 176.12 9.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.05 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 24.7 t -122.21 117.37 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 172.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.05 -26.88 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -176.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -89.53 -52.43 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -174.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 77.3 p -106.21 -19.38 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 -162.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.47 ' HB2' ' H ' ' A' ' 145' ' ' SER . 88.1 mtt-85 -119.77 160.63 22.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 -171.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -89.95 111.06 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 170.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.573 ' HA3' HG21 ' A' ' 144' ' ' THR . . . -111.08 -74.58 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 -172.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.73 -32.37 42.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 111.174 -169.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.08 -46.78 87.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -69.2 -35.48 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.61 91.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.79 -42.45 97.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -61.39 -38.97 88.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 177.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.4 m -65.13 -43.81 90.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.129 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.77 -48.81 78.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.927 -174.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.36 -34.94 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.049 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.84 -42.0 95.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -68.83 -36.83 78.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -66.93 -44.4 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.031 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -66.86 -33.41 75.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -76.25 -59.85 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -178.958 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.1 m -100.55 127.79 46.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -111.86 133.85 53.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -122.42 143.72 49.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 173.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.92 109.4 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -106.74 119.08 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -175.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.0 t -118.16 118.8 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -96.56 126.59 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -175.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 m -129.35 164.56 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.202 -170.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 81' ' ' VAL . . . 145.72 -174.44 25.7 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.23 141.52 54.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.063 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.09 134.23 36.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.474 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.53 -1.36 64.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 175.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.4 t -86.88 -64.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.102 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.01 66.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -48.35 14.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 168.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -66.13 -31.88 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.796 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.15 -39.12 63.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 -170.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.97 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.906 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -60.98 -39.97 91.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.43 -42.43 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 1.5 tm0? -65.12 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.83 -49.87 34.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.1 mm -83.03 -41.82 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 -171.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -109.94 -27.77 9.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.998 -172.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 11.7 t30 70.11 40.62 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -129.82 157.22 42.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -110.93 100.16 8.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.8 m -135.17 165.9 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -95.05 10.01 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.56 79.07 9.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -82.15 159.62 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -170.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -64.58 149.62 95.15 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.727 . . . . 0.0 110.807 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.81 159.47 51.29 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 176.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -64.94 -15.09 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.23 129.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.97 108.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -142.83 98.09 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.7 p -80.93 154.98 26.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -128.6 161.23 30.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.97 143.26 50.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -147.82 130.01 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -94.47 127.0 40.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 174.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -136.82 164.88 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -99.51 119.7 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 174.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.4 mt -126.18 123.63 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t0 60.51 31.14 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -176.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.4 -0.37 89.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -109.96 128.96 55.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.944 0.402 . . . . 0.0 110.799 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.3 m -74.48 128.56 35.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.16 167.83 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.2 tp -112.68 134.61 54.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.878 ' O ' HD12 ' A' ' 53' ' ' LEU . 2.8 pp -124.6 145.33 49.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 177.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -98.0 135.66 39.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 177.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.0 mt -105.91 115.05 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 -172.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.6 mt -120.15 116.51 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -94.2 133.15 38.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.4 p -112.21 157.56 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.99 138.41 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.94 51.6 18.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 167.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -116.09 147.43 41.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.18 -53.13 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -119.95 -55.78 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -168.51 149.14 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.7 p -86.62 175.94 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.9 -32.72 73.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 168.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 67.6 mtt -68.13 -41.79 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.75 -35.47 78.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -61.38 -34.54 75.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -62.58 -50.82 69.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -175.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -72.53 -27.01 61.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -177.356 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 86.3 mtp -65.28 -39.28 92.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 170.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -72.26 -39.73 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.888 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -90.45 -55.11 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.097 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.73 24.76 37.45 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.428 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -67.99 -41.03 82.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.97 0.414 . . . . 0.0 110.79 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.1 157.12 8.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.549 174.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -153.58 149.82 28.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.3 tp -104.21 127.91 51.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.0 t -111.55 115.67 29.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.449 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 21.4 m -114.6 143.43 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -141.07 163.51 32.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.54 130.78 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.607 ' O ' HG22 ' A' ' 124' ' ' THR . 8.8 tp -69.89 -17.04 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -174.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -91.54 -15.67 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -86.19 116.85 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.1 m -67.67 -41.26 84.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.096 -178.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -75.19 -28.08 59.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.857 -167.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -63.15 -57.69 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -164.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -68.9 -27.89 66.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.935 -175.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.55 -43.77 75.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.89 -35.07 77.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.89 -39.94 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -54.71 -45.23 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.3 -43.17 91.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -60.31 -39.59 87.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -59.99 -47.26 86.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -69.71 -36.31 75.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.65 -53.64 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -172.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.2 pt -63.46 -31.84 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.045 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.72 -45.68 91.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 176.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -71.28 -37.47 71.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.7 t -63.13 -40.22 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -94.96 0.73 54.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 49.17 44.92 23.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.856 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.3 m -120.03 171.52 8.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -170.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -84.57 -175.85 5.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.83 139.68 55.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.64 156.49 61.42 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 111.113 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -55.14 121.05 9.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.285 -175.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.3 ttt -145.63 142.35 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.1 t -129.35 133.78 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 169.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -102.98 118.41 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.7 t -122.46 128.02 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -174.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.22 143.17 15.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 171.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -92.58 174.03 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.883 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.493 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 98.2 mttt 55.9 64.84 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 170.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.25 -15.07 60.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -101.37 4.68 41.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 117' ' ' LYS . 55.4 tp -75.54 132.71 40.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.89 -36.92 18.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.58 75.75 10.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -117.44 171.68 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 84' ' ' ILE . 14.5 t -80.06 -167.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.212 175.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 79.5 t -43.29 141.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.147 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -47.01 150.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 -166.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.8 p -62.26 -18.91 62.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.38 -31.6 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -63.47 -47.88 79.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.24 -34.89 78.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -63.02 -42.72 99.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -68.92 -36.01 77.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 133' ' ' LEU . 0.6 OUTLIER -65.46 -36.83 85.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 175.828 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.39 -36.13 78.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 170.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -65.08 -33.81 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 56.6 p -64.23 -24.85 67.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -175.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -106.43 -0.07 24.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.6 33.62 67.27 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.409 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 46.8 pt -112.45 148.88 40.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 0.0 111.126 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 51.9 Cg_exo -58.66 142.64 98.65 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -123.67 130.02 52.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 88.1 mt -123.53 126.7 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -101.95 110.34 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 171.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.2 t -151.43 -174.46 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 -172.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 74.5 m -129.92 124.92 34.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 171.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.51 -30.88 71.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -87.01 -49.31 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -170.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.1 p -107.08 -15.7 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.126 -164.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.404 ' HB2' ' H ' ' A' ' 145' ' ' SER . 36.1 mmt180 -116.5 158.54 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -74.01 91.27 2.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 173.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -111.11 -74.99 0.77 Allowed Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.455 -171.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.8 m -60.09 -30.77 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 0.0 111.099 -168.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.76 -49.8 76.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.84 -35.66 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.85 95.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -65.05 -39.75 93.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -62.02 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.7 p -71.65 -30.83 66.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 53.7 tp -64.48 -42.63 95.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.8 t -61.59 -40.08 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.044 174.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.04 -38.36 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -69.37 -38.57 78.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.27 -45.01 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -68.03 -25.57 65.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -75.39 -48.06 24.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.965 175.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.7 mtm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.893 0.377 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -81.35 129.72 34.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -87.22 127.43 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.646 ' OH ' ' HA3' ' A' ' 77' ' ' GLY . 63.1 t80 -117.15 127.78 54.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -94.83 99.86 11.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.438 HD23 HG12 ' A' ' 55' ' ' ILE . 64.1 tp -102.92 117.64 35.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -176.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.09 131.47 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -78.83 125.03 38.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.39 139.91 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' A' ' 81' ' ' VAL . . . 128.36 166.03 11.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.445 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.21 146.19 28.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.81 0.338 . . . . 0.0 111.114 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.97 -163.52 34.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.27 -4.74 25.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.91 -62.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.949 0.405 . . . . 0.0 111.221 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.03 70.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.31 -34.22 77.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 t -61.71 -43.01 99.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 177.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.43 ' HB2' ' CD2' ' A' ' 32' ' ' TYR . . . -57.77 -42.99 85.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.111 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.402 HD22 ' HB ' ' A' ' 152' ' ' VAL . 93.0 mt -63.78 -41.9 97.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -176.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.9 p -73.88 -34.26 64.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.0 mt -66.6 -42.75 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 25.2 mt-30 -65.25 -32.47 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -62.45 -50.32 71.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.401 HG13 ' HG2' ' A' ' 25' ' ' GLN . 50.0 pt -80.03 -20.02 12.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -172.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.5 mm-40 -100.67 -27.64 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 65.01 31.99 10.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.424 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 98.4 m-70 -129.26 175.26 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -99.04 118.38 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.8 t -126.4 125.66 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 -167.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -104.05 -29.45 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.08 85.3 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.43 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 41.7 p90 -101.03 170.44 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -174.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -71.85 151.43 93.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.598 0.713 . . . . 0.0 110.922 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 36' ' ' ILE . 37.2 Cg_endo -61.59 156.45 47.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.393 176.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 t -63.3 77.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' PRO . 48.4 pt -134.09 162.06 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.29 103.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 175.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -155.04 102.0 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -176.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -90.35 153.44 20.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -126.03 143.22 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.88 142.92 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -140.28 131.29 26.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -78.6 124.43 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.7 t -136.62 146.94 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -98.78 124.13 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 171.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.416 HG12 HG13 ' A' ' 160' ' ' VAL . 77.5 mt -123.97 118.56 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.13 30.29 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.71 -4.38 84.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.505 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.58 123.47 44.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.929 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -74.18 127.54 33.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.231 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 p -145.85 167.7 22.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.913 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -114.86 119.69 37.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.9 mp -94.11 118.83 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -99.37 117.72 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.438 HG12 HD23 ' A' ' 6' ' ' LEU . 82.2 mt -89.02 118.69 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 -177.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 71' ' ' TYR . 40.0 mt -101.74 114.96 29.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -165.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -97.64 154.43 17.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.3 t -76.55 151.66 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -146.46 139.61 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.2 -102.69 1.49 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -75.46 158.33 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 111.002 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.06 -44.93 75.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -100.5 -29.96 12.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -173.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.34 129.52 47.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -175.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.557 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 27.5 t -160.76 138.77 9.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.84 -31.42 72.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 170.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 62.5 tpp -79.96 -44.56 20.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.789 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.557 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 77.6 ttt-85 -91.18 -62.37 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -172.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.76 -49.1 67.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -169.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -54.04 -42.44 69.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.943 -176.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.452 ' HB2' HD13 ' A' ' 56' ' ' LEU . 68.1 m-85 -78.84 -34.84 44.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.866 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 58.5 ttp -56.51 -30.74 63.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -59.83 -28.05 67.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -177.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.6 m -69.88 -42.25 73.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.53 31.69 26.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 170.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.4 -59.5 5.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.646 ' HA3' ' OH ' ' A' ' 4' ' ' TYR . . . -171.67 170.32 43.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 174.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -149.89 148.14 28.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 110.877 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.96 126.7 54.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.7 m -91.06 111.65 23.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -172.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.487 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 92.7 t -117.66 132.31 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -102.87 134.77 45.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -175.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.76 145.51 47.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.7 mt -73.64 -32.0 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -167.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -109.97 -29.9 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -174.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -80.3 99.85 8.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -171.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.9 m -61.27 -36.83 81.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.89 -18.72 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -54.02 -35.97 62.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -56.02 -44.44 78.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -68.07 -44.73 75.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.6 -35.94 82.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.77 -44.22 99.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 137' ' ' TYR . 81.6 t60 -60.0 -47.1 87.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 176.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.84 -44.15 96.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.999 -177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -62.44 -37.79 87.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -62.4 -42.55 99.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 175.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -65.15 -38.13 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -66.52 -45.28 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.407 ' HA ' HG22 ' A' ' 103' ' ' VAL . 93.6 mt -62.45 -39.89 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.071 175.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -56.02 -39.0 71.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -68.78 -52.57 28.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.407 HG22 ' HA ' ' A' ' 100' ' ' ILE . 26.7 m -74.95 -24.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -167.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -72.44 -17.31 61.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -171.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 43.1 44.7 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 172.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.5 p -157.27 -178.85 7.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -71.93 166.05 22.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -84.78 134.7 34.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -174.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.8 t -110.66 130.07 23.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.62 134.58 41.63 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.409 -178.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 26.2 mmt -129.93 154.44 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -176.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.8 t -127.63 132.31 69.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.102 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.2 tp -97.79 122.18 40.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.983 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.34 129.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -119.07 167.67 13.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.442 174.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 144' ' ' THR . 71.7 m-80 -106.5 156.74 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.889 0.376 . . . . 0.0 110.913 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -117.84 -58.2 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.8 m -91.28 4.2 52.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.897 -169.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -86.04 -10.2 55.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -176.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.3 tp -152.97 130.4 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.86 79.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.42 96.94 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 176.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 92.4 mtm180 -100.37 149.94 23.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -175.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.8 t -81.78 -168.67 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 33.6 m -58.52 160.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 -178.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 7.8 tp10 -47.82 147.84 1.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.7 p -64.86 -26.57 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -172.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.402 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.8 mtt180 -63.12 -44.37 95.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 177.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -75.32 -41.11 57.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.78 80.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -61.23 -49.06 78.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.95 -36.15 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.95 -44.97 94.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.4 93.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.87 -34.42 78.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 77.8 p -67.02 -22.43 65.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.603 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 45.8 m-85 -101.14 5.08 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.17 12.28 57.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 165.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.5 mt -129.87 129.98 23.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.71 0.766 . . . . 0.0 111.078 -176.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.78 148.29 76.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -121.7 129.97 53.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -171.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 92.9 mt -123.5 134.93 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -104.44 128.78 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 14.6 t -143.75 -170.35 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.102 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.3 t -134.91 107.6 7.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 169.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.59 -24.88 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -169.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.16 -38.78 20.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -171.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.9 p -109.52 -19.0 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -170.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -136.75 179.09 6.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -177.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -65.16 115.74 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 174.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -129.54 -104.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -173.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.402 ' HB ' HD22 ' A' ' 19' ' ' LEU . 11.6 p -56.21 -29.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.805 0.336 . . . . 0.0 111.15 -176.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.6 -43.35 80.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -67.62 -40.3 84.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.8 96.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -67.32 -45.29 76.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -68.44 -36.92 79.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 59.9 m -62.37 -42.75 99.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 174.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.37 -46.29 83.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 46' ' ' ILE . 55.5 t -59.56 -41.45 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 177.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.27 -38.69 92.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -69.4 -35.73 76.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -65.73 -48.33 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.171 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -69.65 -22.83 63.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -75.82 -59.93 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 178.282 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 ttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 99.5 m -88.59 121.02 30.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -100.1 132.25 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.702 ' OH ' ' HA3' ' A' ' 77' ' ' GLY . 82.2 t80 -127.98 129.91 47.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -95.0 113.6 25.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -108.33 118.01 35.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.96 134.52 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.049 -176.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.79 121.21 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.5 t -135.04 145.89 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.09 -157.27 22.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.531 173.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.86 144.97 43.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 -176.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.04 -178.38 29.09 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.73 -44.42 1.84 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.413 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.13 -58.19 8.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.88 0.371 . . . . 0.0 111.155 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA3' ' HB3' ' A' ' 18' ' ' ALA . . . 164.99 72.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.478 174.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -57.12 -47.88 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.931 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -75.83 -36.66 59.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.469 ' HB3' ' HA3' ' A' ' 15' ' ' GLY . . . -62.92 -41.82 99.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -174.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.23 -36.57 79.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.4 m -61.09 -43.13 99.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 171.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.72 -40.0 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 176.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -62.95 -36.89 84.95 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -64.98 -50.02 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.66 HG13 ' HG2' ' A' ' 25' ' ' GLN . 38.9 pt -87.97 -21.18 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.155 -166.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.66 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.2 mm-40 -114.06 -17.58 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.0 m-20 70.15 20.12 6.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 -175.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -137.39 141.9 41.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -98.94 121.07 40.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.53 124.95 69.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.08 -174.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.97 -38.21 76.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -90.02 79.93 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -94.79 168.14 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -172.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -70.66 146.39 93.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -170.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.93 157.07 63.41 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -64.28 76.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 pt -124.94 159.46 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.163 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.1 99.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -159.63 100.25 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -176.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.1 p -81.76 152.42 27.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -125.1 145.0 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -122.56 140.32 52.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -175.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -146.68 124.25 11.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 173.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -78.21 124.13 27.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.504 HG23 ' SG ' ' A' ' 51' ' ' CYS . 27.2 m -136.81 163.31 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.1 t -116.19 129.55 72.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.8 mt -123.53 119.51 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t0 55.72 35.12 24.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -177.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.2 -0.04 88.18 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -102.16 130.41 48.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.941 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.0 m -71.93 127.13 31.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.504 ' SG ' HG23 ' A' ' 44' ' ' VAL . 26.8 p -147.04 165.1 30.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.8 tp -113.06 126.95 56.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.1 tp -91.99 111.09 22.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -105.0 108.95 20.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.8 mt -96.29 124.9 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.5 mt -116.17 111.92 20.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -170.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -94.01 161.72 14.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -72.82 150.02 43.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.12 128.88 48.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.02 -106.31 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -85.04 159.13 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.656 0.265 . . . . 0.0 110.991 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.11 -49.07 71.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -172.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -98.1 -38.9 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -174.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -96.68 110.3 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.926 -174.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.779 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 40.1 t -156.29 139.96 16.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -175.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.33 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 169.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ttt -77.09 -51.17 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.779 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 78.0 ttt-85 -63.58 -50.01 71.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -173.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -72.05 -35.01 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -170.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -64.96 -48.3 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -74.67 -32.08 62.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.957 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.9 mtp -64.57 -34.77 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 170.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -65.07 -32.73 74.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.9 m -67.98 -47.17 69.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.79 24.72 61.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 165.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -54.43 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.702 ' HA3' ' OH ' ' A' ' 4' ' ' TYR . . . -174.07 161.7 32.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 174.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -149.95 146.82 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.891 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.1 tp -107.06 127.65 53.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 113' ' ' LEU . 73.5 m -92.2 130.91 37.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -171.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.84 130.45 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 113' ' ' LEU . 53.9 t80 -111.5 136.87 50.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.04 149.37 39.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.053 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' A' ' 120' ' ' LEU . 95.7 mt -69.3 -36.9 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -168.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.05 -29.96 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -80.75 100.03 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -171.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.4 m -61.24 -36.79 80.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.49 -20.59 64.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -174.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 m -55.98 -32.24 63.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -55.09 -44.26 74.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.75 -43.02 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.32 -38.53 91.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.5 mt -66.07 -40.51 87.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 177.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -58.38 -44.19 88.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.795 174.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.18 -41.47 98.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -58.28 -42.64 87.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 176.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -63.61 -43.81 95.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.85 -37.52 87.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -67.53 -47.13 70.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.424 ' HA ' HG22 ' A' ' 103' ' ' VAL . 93.5 mt -59.97 -40.88 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 175.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 88.6 tttt -56.65 -39.23 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -176.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -70.75 -51.17 28.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 100' ' ' ILE . 32.5 m -74.93 -24.26 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -167.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.402 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 58.2 pttt -73.0 -17.33 61.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -172.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 42.57 44.54 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 173.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.1 p -155.43 -177.33 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 47.8 p30 -79.96 -176.43 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.897 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -65.64 139.95 58.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -174.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.41 156.51 48.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -65.9 126.42 15.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.617 2.212 . . . . 0.0 112.372 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 66.5 mtm -135.03 135.02 41.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.64 137.13 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 172.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.488 ' HB2' HD12 ' A' ' 139' ' ' ILE . 59.3 tp -103.77 127.1 51.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.5 p -118.49 134.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.36 157.0 27.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.53 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 144' ' ' THR . 70.8 m-80 -106.1 157.78 17.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 -176.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -130.06 -51.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.4 m -86.83 6.26 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -170.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -86.46 -15.17 41.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.426 ' HB3' HG21 ' A' ' 84' ' ' ILE . 58.3 tp -153.53 130.52 11.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -177.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.42 77.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.91 104.34 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 172.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -118.13 159.79 22.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -170.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.3 t -80.16 -169.76 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.11 163.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -43.85 148.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -175.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.9 m -60.08 -38.72 83.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 -172.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.45 -42.81 98.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -70.85 -42.13 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.9 94.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.401 ' HB3' HE21 ' A' ' 131' ' ' GLN . 5.5 tt0 -63.69 -45.4 90.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.986 176.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.82 -36.03 78.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.18 -45.02 95.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.97 -44.29 89.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -66.23 -37.71 86.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -175.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.0 p -68.11 -23.48 64.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -93.89 -2.14 53.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.24 13.07 27.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 163.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 113' ' ' LEU . 22.9 pt -136.73 142.91 40.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 111.084 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.85 144.2 21.53 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.402 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -111.89 129.1 56.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.913 -173.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 87.2 mt -119.96 129.91 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.83 127.23 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 68.6 p -132.43 172.44 12.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.139 -174.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -130.94 99.88 5.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 165.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.42 -29.54 68.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -169.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -80.13 -31.81 39.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -169.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 60.7 p -105.87 -25.42 12.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -140.05 177.32 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -80.69 115.7 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 171.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.96 -75.05 0.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -172.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.67 -29.52 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.55 -47.37 82.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -67.72 -39.02 84.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.928 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.98 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.196 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -64.74 -40.48 95.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -60.2 -37.65 80.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 89.8 m -63.58 -41.47 98.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 170.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.17 -38.6 89.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 176.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.3 t -59.33 -45.0 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.88 -38.46 90.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -69.26 -37.5 77.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.51 -44.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.042 175.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -65.75 -32.76 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -62.13 -52.43 63.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 178.669 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -106.71 122.6 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.45 140.2 52.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -119.38 132.61 55.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -100.89 101.18 11.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 6' ' ' LEU . 7.3 tt -116.1 120.28 38.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -169.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -102.37 124.96 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.06 135.64 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.64 151.61 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 173.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.65 171.75 27.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -170.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.13 160.74 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -172.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.88 152.14 26.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.553 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.87 -16.77 80.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -101.22 16.73 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 111.159 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.86 -135.8 8.17 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.534 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -56.69 -28.56 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.6 t -63.29 -53.45 52.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.98 78.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.164 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.99 -41.28 99.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -69.11 -45.1 71.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.59 -43.79 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 -172.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -67.9 -28.7 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -73.67 -45.0 55.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.464 HG13 ' HG2' ' A' ' 25' ' ' GLN . 42.4 pt -78.47 -19.78 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -175.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 99.3 mm-40 -105.57 -22.52 12.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.99 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.8 m-20 68.16 14.91 9.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -175.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -139.93 150.77 44.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -83.06 120.33 25.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.3 t -112.45 124.64 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -174.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -83.07 -34.58 26.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -89.76 80.65 6.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -79.74 179.11 7.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -173.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.475 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 2.8 p30 -63.78 158.59 59.87 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.636 0.731 . . . . 0.0 110.865 -172.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 36.4 Cg_endo -64.41 164.43 23.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 0.0 112.307 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.9 p -70.08 -5.21 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -176.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.7 mt -75.37 129.4 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 172.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -40.39 133.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -154.66 104.95 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.822 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.8 m -99.71 161.38 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -130.42 152.61 49.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -168.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.87 143.18 49.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 168.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -148.39 130.19 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -79.05 126.79 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.966 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.02 156.92 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -172.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.5 t -107.33 118.15 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -130.59 124.16 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 60.72 27.02 16.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -173.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.68 -0.03 89.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -104.25 128.71 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.858 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.3 m -86.95 127.49 35.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -149.98 170.37 19.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.2 tp -99.18 120.22 39.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.5 tp -105.44 118.95 37.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -97.41 113.05 24.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mm -100.22 114.96 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 -175.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.08 113.65 25.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -176.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -116.96 139.49 50.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.6 m -106.65 135.7 47.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.83 130.56 13.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 174.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.49 -25.44 24.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -107.31 146.05 32.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.972 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.5 -52.73 10.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -129.95 -30.32 2.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -68.9 128.17 35.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -169.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.5 t -155.85 123.28 5.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 165.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.49 85.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.8 mtp -80.4 -48.31 13.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -65.34 -41.45 93.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -170.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -63.08 -37.46 87.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -64.31 -43.3 95.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -65.62 -33.6 76.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.9 mmm -64.78 -36.52 84.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.75 -29.98 70.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.8 p -85.96 -30.94 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.467 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 70.89 28.91 69.85 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.431 171.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -60.5 -60.15 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 110.873 -173.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 151.88 23.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -146.16 126.5 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -170.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.424 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 87.1 mt -111.21 131.88 54.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 170.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.5 t -109.76 114.5 28.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.2 t -103.33 131.6 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -136.92 164.09 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -99.52 134.81 41.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 177.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.93 -30.16 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -87.85 -14.4 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.451 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 41.9 t-20 -90.72 114.8 27.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.9 m -65.9 -44.48 85.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.0 -28.05 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.3 t -59.8 -36.25 76.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -65.34 -38.4 90.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 176.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.58 -35.38 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.24 -44.93 90.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.5 pt -71.02 -26.41 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 -177.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.52 -46.81 86.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.811 171.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -66.1 -43.01 88.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 175.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -59.47 -40.99 88.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.1 tpt85 -53.77 -44.27 69.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.09 -36.88 64.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.535 ' O ' HG23 ' A' ' 103' ' ' VAL . 27.9 tt0 -67.97 -52.69 33.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -173.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.8 pt -64.64 -27.42 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.21 -174.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.22 -43.77 92.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.06 -35.66 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.876 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 99' ' ' GLN . 64.5 t -63.11 -38.92 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -173.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -74.56 -13.4 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.811 -173.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 45.39 43.96 8.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.0 t -156.16 -170.98 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -176.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -77.24 -179.12 5.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -66.92 116.27 7.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -177.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.467 HG11 ' HA3' ' A' ' 75' ' ' GLY . 33.7 m -107.59 159.86 28.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.608 0.718 . . . . 0.0 111.151 -178.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -54.98 124.01 15.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.277 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 65.9 mtt -133.38 150.69 51.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 79' ' ' LEU . 84.3 t -132.79 136.16 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.197 173.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.5 tp -101.02 121.94 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.95 127.87 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 -169.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.65 138.97 14.16 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.507 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -98.44 169.96 9.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.379 . . . . 0.0 110.884 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 54.78 41.39 31.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 173.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.0 m -75.19 -7.0 52.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -94.66 2.12 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 173.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.9 tp -74.34 125.76 29.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.67 84.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -85.65 56.52 4.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 -101.49 90.65 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 174.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 42.4 p -82.5 57.78 3.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 90.5 t -139.46 128.23 28.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.252 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.67 125.44 26.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.0 p -62.91 -29.51 70.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.73 -38.07 89.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.838 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -69.61 -43.46 72.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.045 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -68.29 -48.18 65.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.93 -33.9 76.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.48 -44.07 92.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -62.15 -39.84 93.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 172.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.65 -32.23 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.886 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.0 p -67.54 -20.64 65.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -99.36 -0.92 40.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.2 24.8 70.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.558 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.424 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 92.9 mt -124.73 131.35 24.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.697 . . . . 0.0 111.193 -172.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -65.83 151.01 85.44 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -112.23 127.44 55.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -172.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 39.7 mm -122.39 138.08 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -101.17 127.56 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.492 ' CB ' ' HA3' ' A' ' 151' ' ' GLY . 6.8 t -137.13 174.5 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.487 ' HB3' ' H ' ' A' ' 149' ' ' ARG . 14.0 t -145.15 129.8 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 170.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.54 -19.39 64.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 170.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -92.84 -61.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -168.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 72.7 p -133.41 -44.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.22 -166.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.487 ' H ' ' HB3' ' A' ' 145' ' ' SER . 72.2 ttt180 -90.16 133.06 35.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -169.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -84.99 126.87 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.492 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -137.64 -51.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 59.9 t -52.3 -36.53 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.32 . . . . 0.0 111.095 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.35 -42.84 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -68.1 -35.51 78.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -59.01 -45.64 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 173.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -65.16 -45.42 85.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.5 m -68.42 -47.26 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 68.5 tp -63.13 -49.48 74.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.02 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 52.8 t -64.47 -39.26 84.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -57.49 -43.74 84.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 173.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.04 -33.44 73.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.9 -44.54 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 55.4 tpt85 -74.28 -30.02 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -79.96 -60.02 2.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.979 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.74 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.5 m -98.9 117.46 33.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -128.38 138.3 52.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -119.96 123.48 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 175.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -95.73 100.29 12.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -111.82 128.49 56.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.956 -167.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -95.23 121.01 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -172.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -109.02 134.44 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.102 -175.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.4 t -128.0 141.97 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.16 166.71 36.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.65 149.75 49.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.193 -172.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.03 -179.74 41.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.04 1.42 84.86 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.87 3.93 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.932 0.396 . . . . 0.0 111.067 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.22 -139.56 10.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.3 -18.26 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.967 -178.506 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.8 m -58.14 -49.37 77.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.41 -41.21 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.437 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 63.2 mt -64.88 -42.78 94.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -171.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -67.29 -44.71 78.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.1 mt -69.0 -41.17 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.045 -174.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.6 pp0? -67.93 -27.23 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -171.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.9 tp -72.55 -47.93 44.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.977 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.509 HG13 ' HG2' ' A' ' 25' ' ' GLN . 45.2 pt -78.36 -19.52 13.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.072 -173.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.509 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.4 mm-40 -106.78 -24.28 12.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.9 m-20 68.98 17.66 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -174.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -138.26 150.13 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -83.87 117.17 23.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -177.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.4 t -123.38 126.82 73.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 -173.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -92.67 -18.82 22.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -88.6 87.84 7.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.79 146.31 54.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.545 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 39.2 p30 -64.27 171.38 2.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.482 0.658 . . . . 0.0 110.889 -175.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 83.1 Cg_exo -52.32 155.6 9.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.616 2.211 . . . . 0.0 112.325 -176.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.7 p -74.32 -4.17 34.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -170.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.08 128.01 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 172.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -49.92 109.96 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -139.84 101.65 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.1 m -99.61 161.74 13.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -132.61 158.22 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 -171.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 54' ' ' ASP . 98.8 mtt180 -117.85 147.31 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -145.34 130.04 18.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -92.83 126.62 38.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -141.12 164.89 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.18 119.31 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.5 mt -129.8 129.47 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t0 65.06 24.81 12.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.96 -3.49 85.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.432 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.36 128.27 55.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.43 . . . . 0.0 110.913 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -72.21 127.32 32.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.2 p -144.71 162.72 36.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -106.23 122.02 45.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.6 mt -99.2 120.99 40.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.426 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 58.5 t0 -93.04 110.94 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 174.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.3 108.78 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -169.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.8 mt -97.77 106.56 18.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -172.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -99.84 154.3 18.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 m -99.07 132.75 44.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 172.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.47 143.44 31.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.091 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.66 -43.06 1.75 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -140.04 145.76 38.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.731 0.301 . . . . 0.0 110.902 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.86 -41.36 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -91.57 -33.44 15.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.829 -171.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -108.87 137.25 47.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.4 t -138.29 131.83 30.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 172.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.76 -42.05 86.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 63.7 mtt -84.88 -51.94 6.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -177.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -66.33 -44.68 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -167.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.87 -38.16 90.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 -175.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -70.84 -52.54 19.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -73.47 -29.86 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -171.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.5 tpt -53.17 -31.43 42.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 104' ' ' LYS . 98.5 mtt180 -69.29 -23.92 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.9 m -71.53 -44.02 65.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 171.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.69 31.42 36.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.505 164.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.61 -44.44 82.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.74 158.21 28.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.43 175.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 111' ' ' MET . 74.1 t80 -137.95 129.46 27.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.941 0.401 . . . . 0.0 110.877 -174.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.1 tp -110.23 120.3 42.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.7 116.53 32.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -107.85 130.81 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.061 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -132.44 170.81 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -101.04 128.85 46.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.402 HG22 ' HA ' ' A' ' 123' ' ' ARG . 91.1 mt -75.77 -27.02 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 -175.172 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.495 ' HB3' HD23 ' A' ' 120' ' ' LEU . 17.0 p-10 -88.06 -21.27 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.572 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 7.3 t-20 -97.22 96.99 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 173.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.6 m -54.02 -37.77 64.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.46 -19.36 65.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -174.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.6 p -60.61 -24.81 65.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -173.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -64.02 -38.98 93.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 174.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.13 -36.7 83.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.62 -47.86 79.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.3 pt -71.19 -26.88 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -64.37 -53.23 51.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.857 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -67.78 -33.83 75.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -60.58 -50.08 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.46 -43.67 89.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.829 -176.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.21 -36.7 84.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -175.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 103' ' ' VAL . 17.6 tt0 -69.17 -46.16 68.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.97 172.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.81 -36.97 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 97.0 mttt -59.42 -39.3 83.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.31 -35.45 66.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.816 175.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 99' ' ' GLN . 67.7 t -67.45 -40.33 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -177.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 106' ' ' SER . 58.7 pttt -75.72 -24.81 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -170.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 45.27 42.65 7.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.448 ' H ' ' HG3' ' A' ' 104' ' ' LYS . 71.6 m -134.79 175.78 9.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -174.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -74.87 -179.88 4.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -66.06 117.21 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -172.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 85.7 t -88.24 132.53 39.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 111.104 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -62.26 126.76 19.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 25.2 ptp -137.92 159.05 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -170.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.4 p -131.04 137.53 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.144 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.0 tp -98.48 117.44 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 81.8 t -128.37 131.55 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.48 146.28 16.05 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -100.05 169.0 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 174.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 64.99 39.79 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.1 t -67.04 -31.85 72.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 170.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -82.5 0.53 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -175.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 85' ' ' ASN . 60.7 tp -92.74 130.2 38.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 175.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.45 -30.76 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.05 77.05 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.402 ' HA ' HG22 ' A' ' 84' ' ' ILE . 99.8 mtt180 -90.15 79.98 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 173.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 52.6 p -85.05 64.88 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.2 t -136.27 131.09 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -76.91 110.92 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 92.9 p -62.87 -30.05 71.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -173.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.56 -39.5 94.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.819 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -73.92 -49.8 23.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' A' ' 141' ' ' TYR . . . -60.47 -43.52 96.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -67.62 -49.33 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.14 -33.56 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -176.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.62 -43.27 99.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -69.05 -34.62 75.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -66.05 -33.49 75.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.9 p -64.92 -24.69 67.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.753 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.95 4.21 31.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.63 39.42 67.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 175.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.522 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 6.0 tp -138.45 133.68 17.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.554 0.692 . . . . 0.0 111.199 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.52 145.63 46.25 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.434 ' CE1' ' HB1' ' A' ' 130' ' ' ALA . 48.5 t80 -91.93 126.42 37.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.95 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 84.9 mt -122.68 131.04 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -169.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -112.78 132.71 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 170.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 55.7 p -132.24 170.07 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -171.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -134.68 111.77 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 171.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.417 ' HB2' HD23 ' A' ' 19' ' ' LEU . . . -58.76 -25.16 62.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.8 -51.94 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -172.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.8 p -111.7 -24.5 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 -165.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -111.23 170.27 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -172.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.75 115.98 26.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.941 167.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.95 -74.97 0.98 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.553 -171.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 68.8 t -56.65 -44.47 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 111.11 -172.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.44 -48.23 82.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -69.14 -37.19 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.2 -45.82 83.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -69.98 -30.1 67.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -56.7 -47.9 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 173.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 87.9 m -66.54 -45.54 79.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 177.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.12 -52.3 63.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.006 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.1 -43.03 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -175.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.23 -40.44 94.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.4 -38.37 90.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.98 -39.96 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.197 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -67.98 -34.96 77.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.824 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -87.43 -49.99 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.777 -176.858 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.4 m -132.58 138.63 47.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -178.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -92.87 128.27 38.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -118.8 128.82 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.41 107.35 19.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 tp -103.66 125.27 50.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 71' ' ' TYR . 98.7 t -112.17 121.25 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.149 171.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.0 126.03 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.12 163.28 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.95 -176.96 30.87 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 -176.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.7 123.34 12.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 111.102 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.3 141.7 30.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.591 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.64 15.52 56.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -95.31 -73.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.71 55.0 0.16 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -64.27 -30.02 71.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.5 m -65.2 -41.92 94.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.05 -36.64 85.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.06 -37.4 87.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 176.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.0 m -65.25 -44.81 86.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.79 -39.05 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.519 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 7.5 tt0 -57.97 -33.77 69.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.65 -54.47 6.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 177.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.65 HG23 ' HG2' ' A' ' 25' ' ' GLN . 9.7 tp -81.67 -33.37 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -165.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.65 ' HG2' HG23 ' A' ' 24' ' ' ILE . 99.0 mm-40 -107.32 -31.28 8.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 16.6 m120 77.62 26.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -126.53 164.71 20.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -114.95 104.84 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 177.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 p -148.32 144.23 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 -176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -79.33 75.0 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -124.98 75.03 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -72.72 142.32 48.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -170.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -93.77 154.15 40.98 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.546 0.688 . . . . 0.0 110.955 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.5 157.68 53.75 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.394 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.9 p -70.78 -7.34 44.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.776 -176.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -56.13 130.29 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -53.2 110.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -147.53 96.26 2.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.9 p -86.29 159.99 19.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -126.83 152.1 47.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -127.95 136.3 51.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -134.53 131.33 37.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -175.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -79.07 123.4 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.01 164.62 33.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.22 -173.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.09 124.99 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -124.12 120.73 60.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 56.97 29.96 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.01 0.22 89.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -106.31 130.06 54.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.023 0.439 . . . . 0.0 110.886 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -81.29 125.0 29.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.206 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.4 p -140.37 176.63 8.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 tp -104.81 126.63 52.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -176.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.7 tp -101.06 112.84 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 174.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -91.71 119.24 31.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.7 mt -101.61 114.94 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -168.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HB3' ' HG2' ' A' ' 68' ' ' ARG . 73.8 mt -118.89 121.78 40.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 175.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -110.01 110.73 21.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m -97.72 132.59 43.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.12 130.91 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.39 -42.44 2.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 175.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -110.0 144.94 37.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.898 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -84.9 -46.49 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -131.73 -4.84 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -168.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -97.22 73.38 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -167.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 t -159.53 116.93 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.814 167.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.12 70.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.9 tpp -79.9 -46.41 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HG2' ' HB3' ' A' ' 56' ' ' LEU . 72.5 mtt85 -99.0 -56.34 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.906 -168.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.03 -14.61 60.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -168.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -49.27 -25.04 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.916 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.469 ' HB3' HG21 ' A' ' 7' ' ' VAL . 14.6 p90 -48.18 -32.59 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -175.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.9 mtm -59.9 -33.62 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -66.93 -34.79 78.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.1 p -90.23 -30.37 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 -173.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.47 18.94 78.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.82 -49.98 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.7 161.72 10.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -155.03 151.7 28.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.3 tp -111.02 124.46 52.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.1 t -97.99 124.89 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -109.99 135.03 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 -174.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -109.74 135.49 50.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.566 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -87.96 122.41 31.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 176.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' A' ' 116' ' ' ASN . 6.5 tp -67.34 -26.49 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 -169.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -103.22 -16.68 15.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -173.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.566 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 41.7 t-20 -88.13 115.32 25.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.9 m -67.54 -42.4 82.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.85 -21.0 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -175.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.4 t -51.84 -35.63 45.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -58.66 -45.4 89.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.77 -42.97 69.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -64.68 -39.09 93.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.767 -177.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.8 mt -66.64 -42.23 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -57.48 -47.25 82.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -65.16 -47.57 76.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -177.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -65.3 -41.16 94.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -64.79 -40.1 94.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.44 -43.45 98.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -68.85 -47.57 65.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.51 -41.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 175.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.04 -44.3 96.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -178.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.86 -40.02 87.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.0 t -69.95 -40.27 78.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.1 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -97.52 11.15 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -45.72 -37.53 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.6 m -118.75 74.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 172.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -167.51 157.32 10.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -107.4 82.67 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.8 t -118.18 124.09 28.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.132 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.41 ' HG3' ' HA ' ' A' ' 163' ' ' ILE . 66.3 Cg_endo -73.84 136.4 22.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.656 2.238 . . . . 0.0 112.391 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.8 ttt -144.78 140.0 28.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.8 t -132.25 137.45 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.198 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 134' ' ' ALA . 62.6 tp -103.99 121.66 43.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 175.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.04 134.19 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.91 143.46 16.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.54 177.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.459 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 52.3 p30 -93.63 164.29 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -177.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.474 ' H ' ' H ' ' A' ' 146' ' ' ALA . 56.7 mtpt 38.42 49.94 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.484 ' SG ' ' HG3' ' A' ' 143' ' ' GLU . 85.5 m -74.98 -6.9 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -177.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -97.57 5.03 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 176.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 tp -74.62 120.27 19.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.811 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.5 87.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.06 94.32 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -146.68 166.42 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.3 t -84.99 -165.59 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 70.8 t -40.88 141.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -175.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 7.5 tp10 -50.91 153.4 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -163.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.2 p -64.0 -20.86 66.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.434 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.7 mtt180 -60.6 -29.98 69.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -63.44 -42.38 98.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.21 86.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -65.03 -47.11 78.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.14 -37.32 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.73 -41.3 92.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.453 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -58.54 -38.22 77.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 175.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.39 -39.85 94.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.6 p -73.29 -22.03 60.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -89.81 -3.7 58.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.76 24.81 71.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 48.7 pt -134.7 156.7 78.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 111.109 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.54 153.04 60.39 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.622 2.214 . . . . 0.0 112.296 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -117.44 130.93 56.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 144' ' ' THR . 40.9 mm -114.23 132.83 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 176.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.484 ' HG3' ' SG ' ' A' ' 118' ' ' CYS . 80.1 tt0 -118.56 109.98 16.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -175.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.431 HG23 HG22 ' A' ' 142' ' ' ILE . 71.7 p -137.92 179.48 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -175.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.5 t -127.03 108.85 11.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.474 ' H ' ' H ' ' A' ' 117' ' ' LYS . . . -65.14 -28.73 69.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 -176.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -75.78 -41.35 53.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -173.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 78.8 p -106.96 -21.14 13.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 -168.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -139.39 176.14 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -175.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -87.58 115.09 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 171.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.95 -63.55 0.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.91 -38.57 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -55.44 -46.04 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.8 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.28 -37.93 81.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.832 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.18 86.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -63.15 -41.58 99.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -60.05 -39.62 86.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.1 m -65.09 -43.01 93.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.209 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.56 -41.46 90.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 163' ' ' ILE . 49.4 t -63.75 -39.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.71 -35.86 77.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 173.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -71.45 -34.8 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 174.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 160' ' ' VAL . 85.9 mt -64.18 -40.12 87.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.114 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.5 -25.08 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -78.8 -59.9 2.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.048 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.7 m -119.33 135.41 54.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -97.56 130.97 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -113.42 133.14 55.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -100.09 102.15 13.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 tt -112.88 120.49 41.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -172.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.1 t -102.1 132.75 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 -175.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -93.19 125.32 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.7 m -133.04 164.71 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 -177.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.54 179.61 19.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.94 144.94 34.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.95 177.39 52.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.544 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.07 -26.44 6.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.4 t -95.0 -78.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.05 70.47 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 172.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -60.65 -45.81 92.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -66.8 -39.64 87.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 32' ' ' TYR . . . -61.1 -37.37 82.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.75 -43.99 91.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.7 p -72.38 -34.39 67.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -70.94 -43.58 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.059 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -77.18 -34.47 56.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -175.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.43 -42.2 92.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -174.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 tp -66.73 -20.0 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 58.6 mt-30 -100.58 -9.18 22.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.1 m-20 65.04 35.81 7.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -176.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -134.93 -171.34 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.809 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -112.02 130.0 56.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.26 114.25 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 174.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -75.03 -65.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -85.1 105.59 15.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.525 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 53.2 p90 -66.76 158.37 30.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -178.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -73.34 149.37 89.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.56 0.695 . . . . 0.0 110.869 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.46 ' O ' ' HB3' ' A' ' 35' ' ' SER . 37.7 Cg_endo -65.03 160.76 40.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.593 2.195 . . . . 0.0 112.35 176.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 34' ' ' PRO . 8.3 t 75.01 168.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -173.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.438 ' HB ' ' HB3' ' A' ' 59' ' ' ALA . 44.2 pt -109.18 173.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -167.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.478 ' OE1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER 53.52 72.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 178.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -110.07 45.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -107.53 164.88 11.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.05 167.78 20.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -170.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -115.01 135.98 53.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 169.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -140.13 138.26 35.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -175.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -78.61 124.95 28.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.53 160.02 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -173.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.06 118.38 48.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 174.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.8 mt -128.41 124.99 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 59.61 27.61 16.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -173.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.11 0.49 89.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -110.0 134.93 51.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -83.01 125.04 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -148.27 175.08 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.76 128.68 52.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.8 tp -110.73 109.82 20.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -106.09 112.65 25.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.5 mm -97.18 130.04 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -173.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 56' ' ' LEU . 3.4 mm? -104.77 112.17 25.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 177.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -97.18 123.45 40.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 172.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 t -105.54 150.07 25.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 175.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 36' ' ' ILE . . . -165.51 146.91 7.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 -178.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.44 -38.17 3.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.429 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -115.01 171.12 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.902 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.21 -52.31 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -145.55 -15.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 169.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -58.37 114.49 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -176.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.6 m -139.03 140.31 38.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -175.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.91 -59.49 2.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.7 mtp -81.29 -43.76 18.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.48 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -68.48 -38.46 81.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -165.041 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.8 -35.13 75.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -61.13 -45.08 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -69.61 -34.95 74.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.8 mmm -66.39 -35.03 79.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' HA ' ' HD3' ' A' ' 104' ' ' LYS . 99.6 mtt180 -67.8 -32.07 72.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 176.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.5 m -72.77 -40.06 66.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 174.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.426 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 82.11 21.47 60.86 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.439 178.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.86 -51.29 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.918 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.98 145.32 4.36 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.444 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -155.03 150.0 26.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.961 0.41 . . . . 0.0 110.849 -175.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.442 HD23 ' C ' ' A' ' 79' ' ' LEU . 9.1 tt -102.21 119.88 39.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.23 122.83 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.26 125.25 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.443 ' HB2' HD11 ' A' ' 113' ' ' LEU . 44.6 t80 -122.76 132.81 54.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.848 -177.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.14 135.74 33.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 173.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.8 mm -77.54 -34.82 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -167.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -90.07 -18.0 26.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -177.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -90.59 102.59 15.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.1 m -59.8 -38.65 82.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.39 -25.03 67.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -177.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.7 t -59.88 -42.42 93.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -65.92 -42.96 89.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.68 -41.58 99.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.0 -38.74 92.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.98 -42.56 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 178.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -58.22 -45.18 88.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -62.22 -47.58 83.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -61.87 -46.48 89.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -178.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -62.54 -53.47 54.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -67.84 -39.71 83.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.53 -52.34 40.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -176.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.24 -42.09 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.14 -43.29 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.61 -36.27 76.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.76 -42.93 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' A' ' 73' ' ' ARG . 62.6 pttt -89.1 -3.6 58.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 51.86 46.68 26.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 173.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.7 m -129.72 169.97 14.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -174.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -82.77 -174.95 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -178.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -67.3 140.0 57.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.426 HG11 ' HA3' ' A' ' 75' ' ' GLY . 35.3 m -121.5 161.83 39.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.657 0.741 . . . . 0.0 111.137 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -49.17 124.39 11.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.1 ttt -150.32 140.11 21.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -176.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.58 133.38 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 82' ' ' PHE . 35.2 tp -97.78 124.45 42.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.3 t -117.93 123.33 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.74 155.08 16.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -100.05 175.48 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 62.73 65.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 173.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.3 p -70.02 -15.99 63.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -86.29 -9.96 55.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.789 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.533 HD22 ' HD3' ' A' ' 123' ' ' ARG . 80.9 mt 55.01 41.48 31.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 175.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.8 -60.92 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -177.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -96.12 65.18 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.6 ' O ' ' NE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -169.24 159.88 9.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.449 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.2 p -123.87 32.27 5.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.88 130.03 75.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.045 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -80.15 154.45 28.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -175.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.5 m -61.3 -38.24 86.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.2 -37.19 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -69.04 -43.88 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.02 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.04 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.062 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -65.52 -45.53 83.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -64.45 -30.74 71.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 133' ' ' LEU . 0.1 OUTLIER -64.31 -40.04 95.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 174.026 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.45 84.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 171.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -63.32 -33.01 74.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.2 m -63.77 -27.22 69.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 176.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.506 ' HB2' HG12 ' A' ' 139' ' ' ILE . 18.1 m-30 -91.06 -9.0 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 178.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.89 28.99 61.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.506 HG12 ' HB2' ' A' ' 137' ' ' TYR . 36.2 pt -132.01 158.75 74.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.749 0.785 . . . . 0.0 111.005 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.3 Cg_endo -73.04 154.85 52.8 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 178.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -119.62 128.69 54.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -121.36 124.74 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.067 173.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -107.57 126.73 52.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -146.59 177.28 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.6 t -111.68 122.6 48.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.82 -28.88 62.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -95.05 -55.73 2.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 58.0 p -97.63 -10.57 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -159.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -136.02 154.32 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -101.63 103.18 13.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 171.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.95 -22.84 3.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 177.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.87 -44.0 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 111.103 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.62 -43.4 93.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.0 -39.07 92.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.99 89.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -59.86 -45.56 92.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 175.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -65.63 -36.78 84.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 82.2 m -63.52 -42.74 98.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.18 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.32 -39.74 94.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.73 -40.02 87.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.1 -40.08 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -65.05 -34.7 79.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.7 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 171.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -64.96 -27.55 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -85.88 -48.01 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 79.2 m80 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -177.203 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.0 m -97.78 116.04 29.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -129.29 136.51 50.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -117.34 120.97 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -103.07 104.73 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -172.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.3 mt -115.62 131.62 56.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 86.5 t -96.53 135.14 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -175.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.52 122.31 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.94 164.88 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 170.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.41 -160.64 30.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 89' ' ' SER . . . -57.74 133.3 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 111.093 -177.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.84 98.22 2.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.14 -14.62 5.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.3 t -66.27 -67.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 111.123 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.95 67.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.527 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -66.42 -34.88 78.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.918 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 t -68.79 -42.16 77.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.79 89.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 92.7 mt -67.64 -32.57 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.938 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -69.9 -38.77 76.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.94 -43.53 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.2 pp0? -68.48 -22.33 64.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -174.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.07 -46.6 73.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.592 HG13 ' HG2' ' A' ' 25' ' ' GLN . 50.6 pt -86.28 -20.81 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.592 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.1 mm-40 -106.83 -20.8 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -177.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.2 m-20 64.89 35.09 8.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -174.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -156.9 139.82 15.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -89.67 126.85 35.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.23 165.74 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -96.69 -28.96 14.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.11 136.97 58.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -109.44 149.39 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -83.48 140.98 41.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.69 0.757 . . . . 0.0 110.825 -178.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -68.06 161.64 43.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 173.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 m -50.56 -36.02 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -74.41 125.09 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 57.01 52.42 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.53 ' OD2' ' HB2' ' A' ' 59' ' ' ALA . 24.5 p-10 -90.02 -47.43 7.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.3 m -77.24 147.39 36.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -133.62 155.06 50.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -119.4 143.76 47.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -142.52 129.8 21.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -79.42 122.18 26.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.92 160.04 23.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.62 116.74 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 172.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.7 mt -129.39 130.02 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t0 66.84 21.61 10.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.35 -4.94 82.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -109.59 129.9 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 110.954 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.8 m -70.44 129.27 38.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -151.8 173.95 14.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.0 tp -103.82 123.34 46.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.012 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.4 tp -101.83 116.3 32.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -101.95 115.83 31.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -103.06 114.98 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 56' ' ' LEU . 3.0 mm? -94.96 114.95 26.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -171.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -97.42 142.85 28.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 68' ' ' ARG . 71.4 p -76.18 151.66 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.53 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . . . -140.07 143.0 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -173.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.89 -113.91 4.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -97.16 161.03 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.31 . . . . 0.0 110.908 -177.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -70.52 -43.32 69.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.18 -18.88 26.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -175.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -122.4 83.31 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -153.45 120.25 5.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.28 -31.04 71.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 38.3 mmt -65.06 -35.07 79.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -175.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HB2' HG22 ' A' ' 58' ' ' THR . 69.4 ttp85 -89.76 -48.94 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 173.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.09 -45.79 83.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -166.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -71.84 -49.0 42.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -75.74 -38.64 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.019 -169.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.4 tpp -64.75 -32.9 74.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.851 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -63.46 -32.66 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.7 m -70.47 -40.98 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.89 25.88 61.51 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 173.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.48 -36.52 81.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.6 156.21 8.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 173.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -155.63 150.01 25.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.2 tp -109.24 134.28 51.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.7 m -103.57 115.55 30.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.6 m -117.62 142.07 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -144.34 165.66 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.22 130.3 37.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.454 HG22 ' HB2' ' A' ' 117' ' ' LYS . 9.0 tp -73.7 -20.32 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -175.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -93.74 -14.26 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -93.92 117.27 29.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -65.85 -39.99 91.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.01 -20.19 60.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -171.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 91.6 p -61.67 -26.55 68.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -173.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -62.77 -38.28 89.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.32 -39.48 92.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -59.33 -46.87 87.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.9 mt -69.63 -37.63 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -56.09 -40.26 73.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.61 -45.55 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -59.29 -49.03 79.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -45.56 74.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -173.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.8 -38.85 80.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -68.97 -48.04 64.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.42 -37.53 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -52.47 -42.6 64.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.9 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.93 -35.85 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -97.15 14.75 24.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -170.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -46.69 -34.84 5.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.1 m -128.41 75.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 171.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -165.06 155.96 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -110.53 100.2 9.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.88 128.2 17.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 111.133 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.99 140.09 19.88 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.744 2.296 . . . . 0.0 112.317 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.9 mtt -133.17 143.1 48.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.2 t -138.87 135.63 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 173.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 134' ' ' ALA . 54.2 tp -100.48 121.72 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 176.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.7 t -119.75 127.87 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.148 -174.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.86 135.99 12.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.453 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -92.57 179.36 5.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 0.0 110.959 -168.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.454 ' HB2' HG22 ' A' ' 84' ' ' ILE . 74.3 mttt 50.34 40.23 22.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 170.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.0 m -74.66 -5.01 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -93.72 -8.6 40.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 172.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.9 tp -91.23 122.32 33.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.91 89.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.0 93.35 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -152.58 172.49 16.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.4 p -71.75 -175.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 54.8 t -45.59 145.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 7.3 tp10 -43.69 149.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -170.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 94.6 p -64.87 -10.67 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.4 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.8 mtt180 -58.92 -33.87 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 174.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -69.91 -35.13 74.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.3 80.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.12 -46.12 85.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.0 -39.39 92.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 79.2 mt -65.57 -41.41 92.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.009 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.42 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -63.68 -39.88 95.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 175.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.23 -36.25 82.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 81.1 p -65.24 -24.57 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -103.64 5.09 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.93 27.43 66.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 170.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.04 153.86 78.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 111.156 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.11 154.9 42.29 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.242 . . . . 0.0 112.317 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -117.72 129.99 56.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 44.5 mm -118.08 138.55 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -97.72 131.0 44.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.692 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 5.8 t -135.05 169.27 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 36.7 t -161.25 141.89 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.28 -24.2 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 169.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.428 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.6 tttt -76.85 -68.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -171.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.428 HG23 ' HG2' ' A' ' 147' ' ' LYS . 40.4 p -138.03 -44.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.423 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 15.4 tpt180 -57.84 120.03 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -171.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -90.39 116.17 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.692 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -130.33 -55.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.544 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.439 HG23 HG21 ' A' ' 144' ' ' THR . 59.4 t -55.01 -49.58 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.798 0.333 . . . . 0.0 111.05 -172.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.23 -46.48 90.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.99 -34.64 78.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.6 -41.06 93.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -65.06 -38.59 91.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -63.97 -39.3 93.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 82.4 m -62.74 -42.11 99.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.01 -42.63 94.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.66 -43.95 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -65.04 -34.95 79.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.07 -37.91 89.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.1 -40.63 89.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -65.87 -31.71 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -80.91 -43.72 19.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 24.8 m170 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -177.741 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.87 0.367 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -96.92 117.67 31.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -132.59 138.17 47.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -117.18 112.83 21.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 92.5 mttt -98.57 102.87 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -115.29 126.77 54.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.011 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.95 125.0 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.6 t -95.32 124.36 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.65 159.98 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.44 -168.49 41.61 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.411 ' HB2' ' HA ' ' A' ' 89' ' ' SER . . . -77.5 145.0 37.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.047 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.72 142.15 36.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.07 10.63 74.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.4 t -97.47 -69.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.03 65.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.68 -49.29 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.706 0.288 . . . . 0.0 110.803 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m -78.31 -34.06 48.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.914 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.95 87.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -167.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.32 -34.27 75.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.5 p -76.01 -37.27 58.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.1 mt -70.68 -42.09 77.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -67.57 -23.64 65.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.6 tp -67.43 -47.25 70.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.58 HG13 ' HG2' ' A' ' 25' ' ' GLN . 46.7 pt -86.83 -19.96 7.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -173.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.58 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.8 mm-40 -107.12 -22.43 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -176.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.2 m-20 64.95 35.07 8.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -172.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -154.93 138.49 15.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -89.34 130.14 35.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.84 164.04 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -102.98 -19.62 14.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -69.87 121.08 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -172.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -84.68 138.89 32.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -64.9 136.82 96.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.692 0.758 . . . . 0.0 110.864 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.72 152.75 64.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.619 2.213 . . . . 0.0 112.315 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.8 m -53.69 -39.69 65.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 -178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.3 mt -74.93 123.22 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 55.02 46.63 23.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -72.34 -24.21 61.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 m -110.01 149.94 29.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -149.27 161.4 42.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.929 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -121.53 145.86 47.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.81 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -142.19 129.91 21.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -78.79 123.35 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.88 159.64 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 -174.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.0 t -108.76 120.6 60.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 171.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.0 mt -124.95 124.24 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 59.01 29.28 18.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.79 -3.24 87.29 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -106.3 130.0 54.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -81.23 130.02 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -150.05 170.81 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -105.56 119.71 39.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.997 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.9 tp -97.34 116.06 28.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.951 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' HB3' ' HA ' ' A' ' 5' ' ' LYS . 67.6 t0 -100.35 114.39 27.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.6 mm -96.43 114.71 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.5 mt -106.29 124.26 49.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -172.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -114.07 166.55 11.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.7 m -91.75 139.11 30.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.15 137.23 52.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.04 -106.51 2.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . 99.6 mm-40 -82.22 168.73 17.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -175.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.93 -43.24 72.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -172.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -129.95 13.55 5.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.44 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 78.1 m-85 -124.54 86.27 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -137.84 116.73 12.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.41 -34.87 77.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.089 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mtp -70.7 -45.0 65.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -175.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -85.83 -43.7 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.946 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.34 -30.69 71.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -174.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -59.35 -45.2 92.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -74.84 -33.9 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.5 tpp -62.13 -29.2 70.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -56.58 -32.56 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.7 m -75.04 -44.21 49.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.55 28.59 47.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -64.09 -30.92 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.414 . . . . 0.0 110.911 -176.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.91 153.9 6.68 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.414 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.7 150.23 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.1 tp -107.69 131.96 53.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.948 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.8 m -100.24 115.35 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -114.95 133.61 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.421 ' HB2' ' HB3' ' A' ' 89' ' ' SER . 37.2 p90 -134.52 160.03 39.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.455 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -92.44 135.46 34.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 174.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.5 tp -66.08 -24.85 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 -173.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -98.28 -20.03 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.455 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 10.7 t-20 -94.74 98.08 10.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.5 m -60.06 -33.79 72.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.49 -24.28 67.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.865 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.421 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 66.8 m -57.05 -35.19 69.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.851 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -64.49 -37.22 86.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.66 -41.21 92.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.98 -43.22 99.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.6 mt -67.52 -38.76 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -55.78 -43.15 76.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -65.0 -42.33 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -56.7 -45.74 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -61.26 -48.88 79.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.962 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.79 -37.17 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.3 -51.33 64.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.06 -36.18 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 105' ' ' ASP . 86.7 tttt -53.92 -37.28 63.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -54.99 -46.9 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.5 t -76.5 -37.91 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.53 16.9 25.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -169.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' LYS . 38.8 t70 -41.46 -40.15 1.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.2 m -118.98 77.96 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -166.4 157.64 13.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.809 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -101.62 103.63 14.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.0 t -119.12 116.22 34.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.597 0.713 . . . . 0.0 111.098 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -54.59 126.21 21.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 112.371 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.417 ' O ' ' HD2' ' A' ' 140' ' ' PRO . 91.1 mtp -136.64 142.49 43.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 87.1 t -139.82 136.96 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 170.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.4 tp -98.06 119.85 37.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 84.0 t -118.19 127.09 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -173.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.04 135.08 12.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.338 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -90.69 -179.38 5.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 -172.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 56.75 65.09 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 143' ' ' GLU . 88.0 m -90.98 -14.97 30.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -94.79 -9.4 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -104.81 143.92 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.2 -43.13 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -55.93 120.97 8.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -164.95 161.85 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -175.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.1 t -84.98 -165.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 169.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.4 t -42.13 141.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -48.56 151.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -164.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.2 p -64.83 -19.1 65.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.42 -35.67 79.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -70.04 -34.92 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 174.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.88 85.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -63.64 -45.66 89.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 173.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.87 -34.99 75.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.18 -40.98 95.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 174.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.54 79.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 173.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -64.88 -38.62 91.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 70.0 p -70.36 -22.72 62.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -89.42 -8.84 52.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.32 26.28 64.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.6 pt -132.87 153.68 81.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 0.0 111.206 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 111' ' ' MET . 27.9 Cg_exo -63.68 153.35 75.75 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.747 2.298 . . . . 0.0 112.328 176.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -118.02 126.81 53.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 41.5 mm -121.69 136.57 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.226 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.484 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 98.6 mt-10 -104.03 132.41 50.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 6.6 t -142.46 167.84 21.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -137.78 137.84 38.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.82 -22.8 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.1 170.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -77.49 -69.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -171.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.9 p -139.78 -44.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 110.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -171.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -80.06 120.06 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 143' ' ' GLU . . . -130.62 -51.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.8 p -55.34 -28.09 21.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -170.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -53.6 -43.68 68.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.14 -34.9 78.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.65 98.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.032 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -65.02 -37.9 89.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -64.82 -37.51 87.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 90.3 m -63.78 -42.8 97.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.187 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.0 -46.34 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 20.3 m -72.39 -27.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.67 -41.3 96.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 173.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.3 -42.42 93.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.98 -39.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -64.87 -43.93 91.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -83.16 -34.9 25.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -171.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 176.687 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -100.03 124.07 44.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -108.41 133.82 52.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -110.33 134.65 52.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -99.35 102.08 13.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 tt -114.87 119.66 37.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.77 128.56 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.3 t -96.53 124.28 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.57 163.08 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.3 -165.12 28.66 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.52 122.11 12.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.119 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.24 159.49 35.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.526 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 1.46 88.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.7 t -95.01 -77.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.087 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.49 54.65 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -67.37 -36.38 81.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.319 . . . . 0.0 110.891 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.9 t -63.87 -42.78 97.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 174.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.25 97.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 89.4 mt -66.18 -37.28 85.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.5 m -67.38 -44.21 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.33 -39.9 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 3.8 pp0? -69.43 -20.98 63.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -172.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.4 tp -70.43 -50.79 34.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.603 HG13 ' HG2' ' A' ' 25' ' ' GLN . 46.0 pt -81.24 -19.92 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 -171.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.603 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.8 mm-40 -110.5 -18.96 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -177.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 95.7 m-20 64.98 28.86 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -155.97 139.43 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -83.06 122.27 28.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.9 124.67 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 -177.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.27 -34.13 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -55.07 130.72 42.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -92.33 143.67 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.953 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -76.0 139.95 69.79 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.703 0.763 . . . . 0.0 110.827 -176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.33 156.22 62.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.237 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.9 t -53.72 -38.73 64.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -75.09 125.07 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 57.48 46.34 18.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -79.13 -15.3 58.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -113.67 149.16 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -172.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -136.99 152.97 50.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -174.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -124.7 147.15 48.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -148.08 138.29 22.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -176.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -78.36 124.91 28.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.68 160.03 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.09 116.52 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -130.96 126.51 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.2 t0 65.22 25.03 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -174.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.76 -3.43 85.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -111.62 135.8 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.918 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.6 m -79.16 129.93 34.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.9 p -148.92 173.8 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.6 tp -104.44 120.91 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.975 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.2 tp -106.26 115.87 30.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -100.07 111.86 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.0 119.47 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.291 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.9 mt -106.23 128.38 53.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -166.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -107.4 163.44 13.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.5 m -70.8 135.13 47.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.8 139.15 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.55 -101.81 2.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . 97.6 mm-40 -90.12 -177.75 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.83 -175.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.08 -43.01 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -128.27 -4.98 5.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.404 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 89.0 m-85 -109.47 104.61 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.6 t -140.61 120.21 13.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.71 86.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 65.4 ttp -69.95 -58.56 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -69.68 -44.6 70.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -167.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.67 -33.64 76.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.35 -43.84 98.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -65.98 -36.88 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.1 -35.03 79.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.62 -33.04 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.6 m -69.97 -40.96 75.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.27 25.46 63.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 172.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.0 -36.86 80.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.819 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.56 146.23 4.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -149.19 150.0 31.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -106.32 129.02 54.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.8 t -97.5 118.16 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -109.7 131.74 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.119 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HB3' HG21 ' A' ' 93' ' ' ILE . 32.3 p90 -131.02 163.81 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 177.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -94.0 133.05 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.547 HG13 ' HB2' ' A' ' 123' ' ' ARG . 9.7 tp -74.7 -22.84 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.118 -171.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -100.41 -17.04 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.617 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 44.3 t-20 -88.94 116.29 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 -176.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.4 m -68.75 -44.34 73.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.081 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.42 -27.29 67.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.913 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.3 t -59.19 -38.99 81.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -63.89 -42.6 97.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.39 -37.42 85.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.86 -47.69 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.41 HG21 ' HB3' ' A' ' 82' ' ' PHE . 50.3 pt -72.41 -25.97 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -175.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -61.66 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -71.55 -46.82 58.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -64.31 -48.63 74.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -172.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -67.44 -40.01 85.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -173.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -67.83 -43.16 80.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -63.63 -47.58 80.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.929 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.15 -43.05 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 105' ' ' ASP . 88.2 tttt -59.59 -44.31 93.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -64.99 -40.56 95.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -176.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.8 t -69.61 -40.11 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -102.46 10.02 39.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -173.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 101' ' ' LYS . 38.8 t70 -46.64 -47.92 20.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -176.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.1 m -85.03 61.99 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -169.44 160.04 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -95.76 86.35 4.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.65 108.09 49.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 -176.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -59.04 129.55 32.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 58.0 mtt -134.4 139.35 45.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.1 t -135.74 140.44 44.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.178 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 37.8 tp -109.31 127.77 54.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.486 HG12 ' HB ' ' A' ' 142' ' ' ILE . 28.1 m -130.05 143.46 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.72 151.6 18.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 172.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -91.79 178.93 5.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -171.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 54.97 44.83 27.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 170.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.5 m -89.86 11.32 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -103.61 -12.31 17.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 165.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.5 mt -103.18 150.59 23.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.26 36.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.09 115.68 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.078 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.547 ' HB2' HG13 ' A' ' 84' ' ' ILE . 30.8 ptt-85 -167.1 175.54 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 -177.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.8 t -82.04 -166.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 173.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 53.5 t -44.12 147.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.21 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -43.74 149.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -168.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.9 p -63.69 -12.77 37.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 -174.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -58.27 -33.11 69.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -69.02 -37.41 78.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.031 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.39 90.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -58.22 -49.44 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 170.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.32 -36.52 80.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.19 -33.75 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.402 ' HB1' HG13 ' A' ' 139' ' ' ILE . . . -68.46 -39.82 81.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 169.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -69.13 -28.57 66.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.6 p -65.42 -28.03 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -105.4 0.7 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.16 38.68 17.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.497 169.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.402 HG13 ' HB1' ' A' ' 134' ' ' ALA . 43.4 pt -125.35 156.52 70.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.48 150.77 52.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -118.37 126.39 52.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.486 ' HB ' HG12 ' A' ' 114' ' ' VAL . 40.8 mm -121.64 138.41 52.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.14 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -91.29 131.62 36.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 10.6 t -141.31 163.35 33.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -143.29 140.08 30.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.92 -14.98 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -80.05 -69.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 50.4 p -138.91 -44.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -55.53 120.1 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -167.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -90.03 102.78 15.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.32 -27.06 2.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.541 170.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.29 -45.15 96.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.95 -44.84 96.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.0 -36.68 85.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.32 95.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -60.16 -42.96 96.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -64.72 -39.06 93.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.6 m -63.97 -43.22 96.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.57 -42.45 99.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.51 -39.9 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.58 -37.52 86.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.805 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -65.99 -35.39 80.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.99 -40.0 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 170.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -64.94 -30.39 71.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -85.33 -48.88 8.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -174.898 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.6 m -98.56 119.35 37.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -122.59 137.56 54.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -114.62 127.56 55.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -100.54 100.4 11.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.918 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -113.03 122.7 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.7 t -100.58 127.44 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -91.2 124.1 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.99 161.59 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.33 -167.58 38.31 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.45 144.99 43.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 111.076 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.98 140.71 30.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.58 22.32 53.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.456 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 83' ' ' ALA . 92.0 t -96.4 -71.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.082 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.59 54.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -72.48 -42.43 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.827 -168.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -68.68 -40.29 80.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.903 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.81 97.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 95.8 mt -65.61 -34.49 78.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.3 m -67.66 -42.56 82.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.158 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.36 -41.91 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.9 pp0? -66.95 -28.23 68.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -174.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.8 tp -74.88 -46.43 36.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.635 HG13 ' HG2' ' A' ' 25' ' ' GLN . 40.6 pt -82.07 -21.53 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 -171.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.635 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.6 mm-40 -112.45 -11.47 13.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.5 m-20 65.03 24.09 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -175.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -164.99 142.25 6.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -176.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -80.49 128.27 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.0 t -111.05 128.73 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -58.35 -43.68 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.9 108.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -82.04 120.16 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.979 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.66 140.03 86.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.66 0.743 . . . . 0.0 110.846 -172.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.1 165.45 32.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.611 2.207 . . . . 0.0 112.33 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.0 p -65.0 -14.83 61.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -78.17 123.97 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 172.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 54.8 49.14 18.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -90.0 -49.25 6.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -66.5 146.77 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.78 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -147.76 142.16 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.95 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -116.38 130.21 56.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.827 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -143.22 139.31 30.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.969 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -82.19 125.89 31.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.06 159.92 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -174.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.0 t -102.6 115.02 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -133.8 129.76 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t0 68.28 23.89 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.79 -4.12 80.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.433 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -112.16 136.93 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.978 0.418 . . . . 0.0 110.925 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.0 m -78.59 129.01 34.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.3 p -148.09 170.32 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -177.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.8 tp -104.99 118.49 36.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.993 -178.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.9 tp -112.57 116.5 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.981 -173.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -101.6 114.28 28.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.59 117.89 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.3 mt -108.51 115.63 30.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -101.8 147.01 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.8 m -59.84 135.14 57.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -172.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.28 146.0 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.46 -113.23 3.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.536 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -108.71 156.47 19.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.14 -37.74 81.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -89.93 -24.21 21.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -126.66 78.49 1.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.5 t -115.2 122.95 47.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.82 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.07 -31.83 73.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.17 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.9 mmt -78.68 -42.86 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -93.57 -61.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -173.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -75.26 -41.64 56.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -164.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -59.99 -45.02 94.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -77.14 -34.19 56.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.1 tpp -59.38 -29.61 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.865 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -55.75 -33.91 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -77.95 -47.13 19.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.69 22.32 53.71 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.449 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.93 -37.38 66.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.835 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.08 149.84 5.84 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.402 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -150.33 151.35 32.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.8 tp -102.87 129.92 49.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.9 m -95.22 118.04 31.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.6 t -112.55 131.5 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.454 ' HB2' ' HB3' ' A' ' 89' ' ' SER . 33.0 p90 -133.46 159.04 41.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.685 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -89.25 132.67 34.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 175.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.597 HG13 ' HB2' ' A' ' 123' ' ' ARG . 10.6 tp -68.95 -25.28 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.183 -170.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -102.09 -16.81 16.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.685 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 11.2 t-20 -92.97 101.81 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 176.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.0 m -59.43 -34.81 72.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.141 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.59 -24.01 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 58.0 m -59.24 -38.34 79.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -64.14 -36.84 85.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.63 -40.31 95.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -64.08 -39.93 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.5 mm -64.97 -40.2 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -58.75 -44.44 90.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.836 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -62.8 -42.24 99.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -57.01 -44.51 82.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -61.11 -45.59 94.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.06 -38.07 89.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.74 -50.32 63.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.8 mm -63.49 -39.41 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.56 -40.88 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -176.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -56.56 -52.48 64.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -176.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.9 t -76.81 -39.55 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -103.6 13.98 32.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -168.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -40.03 -44.9 1.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.4 t -121.76 94.92 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 173.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -165.63 163.12 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.94 81.87 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.8 t -119.84 112.24 35.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.658 0.742 . . . . 0.0 111.152 -174.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -77.6 136.75 15.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.789 2.326 . . . . 0.0 112.283 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 46.7 mtt -137.66 143.79 41.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.4 t -137.73 135.24 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 168.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.466 ' HB2' HD12 ' A' ' 139' ' ' ILE . 49.2 tp -104.56 119.22 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.35 135.06 64.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.88 153.34 17.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.403 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.444 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 48.2 p-10 -96.43 177.69 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -170.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.99 48.8 21.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 165.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.4 m -90.88 12.37 19.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -98.84 -10.23 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 161.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 64.3 tp -89.93 120.79 31.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.14 93.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 114.98 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.117 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.597 ' HB2' HG13 ' A' ' 84' ' ' ILE . 40.7 ptt180 -165.0 -179.96 6.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.1 t -78.52 -168.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.3 m -48.6 152.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 6.6 tp10 -47.07 146.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -169.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.3 p -66.09 -20.15 66.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -173.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.407 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.6 mtt180 -66.66 -38.07 86.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -71.2 -43.18 67.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.99 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.87 84.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -58.63 -48.64 80.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 172.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.2 -35.01 74.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.99 -41.99 94.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.99 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.88 85.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 174.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -67.66 -36.02 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.5 p -67.48 -20.76 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 173.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -89.66 -7.33 54.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.26 24.2 69.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' A' ' 113' ' ' LEU . 40.4 pt -130.41 152.21 79.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 111.145 -176.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.78 152.93 47.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.28 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -116.9 122.34 44.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.1 mm -120.17 136.36 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.181 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -107.35 123.48 48.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 5.9 t -136.53 161.58 35.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.9 t -135.32 139.32 44.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.9 -22.19 66.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.125 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.8 tttt -74.74 -68.94 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -172.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 147' ' ' LYS . 40.4 p -138.17 -44.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -58.13 119.9 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -169.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -90.36 113.42 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.66 -54.44 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.12 -29.51 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.22 -43.49 82.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.788 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.15 -34.7 78.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.36 96.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -62.98 -41.57 99.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -66.44 -41.96 88.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.2 m -64.83 -41.46 95.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 32.4 mt -61.19 -45.06 96.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.25 -40.95 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.5 -37.14 86.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -65.88 -41.13 91.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.97 -39.98 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -61.63 -34.55 75.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -75.95 -44.37 40.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 178.551 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.6 m -92.05 124.95 36.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -98.14 130.18 44.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -136.34 133.32 36.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -101.0 121.47 41.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -120.06 126.48 50.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 65.4 t -100.57 126.81 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.207 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.7 t -93.15 122.07 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.61 160.57 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.236 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.94 -176.67 42.47 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.449 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 89' ' ' SER . . . -63.75 130.39 44.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 111.037 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.91 141.8 30.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.492 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.15 -1.15 69.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -94.98 -79.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 111.12 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.09 54.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.392 170.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -67.41 -35.6 79.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.382 . . . . 0.0 110.97 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -75.64 -40.19 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 175.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.12 97.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.131 -174.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.36 -42.13 93.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.9 m -67.95 -47.12 69.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.18 -48.21 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -70.42 -35.93 73.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -174.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.2 tp -63.3 -53.13 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -66.64 -32.18 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.169 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -96.84 -5.13 39.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.4 t30 50.94 46.35 26.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -160.08 144.98 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -176.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -94.78 125.39 39.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -174.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.0 159.79 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -147.3 24.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -119.67 29.72 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -87.7 133.34 33.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.98 140.06 88.36 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.55 0.69 . . . . 0.0 110.883 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -75.96 151.43 35.3 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.5 m 64.19 35.34 10.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.811 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.0 mm -115.16 138.2 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -96.82 38.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -63.66 108.22 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -110.64 154.94 23.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -170.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -130.05 150.1 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -167.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -126.15 134.19 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.873 173.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -137.4 131.14 31.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -173.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -93.19 123.99 36.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -134.08 159.96 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 -175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.96 122.7 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.155 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.2 mt -121.42 118.96 57.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 55.62 33.84 22.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.74 3.08 90.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -109.98 127.78 55.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.997 0.427 . . . . 0.0 110.888 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.2 m -74.13 128.54 35.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.0 t -138.96 139.26 37.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.7 tp -106.62 117.12 33.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.9 mt -106.42 115.24 29.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -170.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -93.51 110.05 21.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.52 114.23 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.2 tp -94.05 122.57 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -175.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -93.35 118.28 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.8 p -90.86 151.54 21.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.11 154.83 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.11 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.13 -109.4 3.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.96 169.98 16.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 110.941 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.46 -44.72 50.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -177.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -130.63 -20.06 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -83.52 76.55 9.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -167.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.7 t -150.44 140.0 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 171.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.79 81.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.085 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 67.5 mtt -67.49 -43.42 80.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -64.37 -42.43 96.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.87 -43.31 93.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -65.3 -47.19 77.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -175.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -76.12 -47.12 25.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.0 mtt -65.45 -26.83 68.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -61.92 -31.15 71.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.8 p -88.61 -32.1 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.734 ' HA3' ' HB3' ' A' ' 106' ' ' SER . . . 70.91 26.28 74.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.461 169.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.75 -38.28 69.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.0 158.64 9.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.428 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.35 148.63 28.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 110.916 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.1 tp -106.66 130.62 54.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.0 m -101.22 122.35 43.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -171.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.6 t -110.76 125.01 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.79 158.57 16.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -172.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.46 151.63 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -176.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 pt -89.94 -22.27 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -100.04 -42.25 6.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -88.09 98.98 11.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.1 m -61.09 -34.14 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.91 -17.89 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 60.5 p -58.28 -29.15 65.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.787 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -64.58 -42.74 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.74 -42.55 86.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.34 -44.19 83.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -69.43 -39.96 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -60.49 -38.72 85.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.779 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -61.82 -44.37 96.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.949 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -57.79 -38.98 76.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -57.25 -47.19 82.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.04 -35.05 79.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.73 -49.67 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.28 -42.22 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -67.66 -51.99 43.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -89.66 -58.14 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -172.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.8 t -70.85 -41.31 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.089 -169.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -87.61 -8.86 55.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 64.87 33.92 9.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.814 172.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.734 ' HB3' ' HA3' ' A' ' 75' ' ' GLY . 73.8 m -97.23 153.47 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -69.6 160.69 31.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.795 -174.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -91.18 105.41 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 111' ' ' MET . 33.8 m -110.4 160.02 29.99 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.615 0.722 . . . . 0.0 111.029 -176.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.34 133.38 42.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.57 2.18 . . . . 0.0 112.394 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.447 ' O ' ' HB ' ' A' ' 139' ' ' ILE . 55.4 mtt -129.98 161.95 29.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.7 t -129.55 133.35 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.5 mt -102.28 121.8 42.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.7 t -118.93 129.09 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -170.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.61 146.12 16.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -100.0 168.66 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -171.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 49.52 45.41 24.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.8 m -93.16 11.76 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.789 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.448 ' HB3' ' HB2' ' A' ' 149' ' ' ARG . 58.9 p30 -114.43 4.02 15.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 169.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.1 mt -107.0 159.31 16.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 175.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.92 79.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.71 98.29 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.018 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -110.04 172.16 7.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.795 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.8 t -81.44 -170.29 2.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.178 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 33.9 m -51.66 153.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.207 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -43.6 130.04 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -176.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.9 m -58.71 -30.11 67.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -172.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.03 -39.15 92.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.927 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -70.84 -46.5 62.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.03 80.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -64.99 -45.52 85.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 175.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -63.24 -34.5 77.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.05 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.9 76.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -66.27 -30.56 71.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -176.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.7 p -64.86 -22.32 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -104.16 0.32 29.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.876 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.99 27.67 64.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.447 ' HB ' ' O ' ' A' ' 111' ' ' MET . 40.0 pt -126.07 159.94 59.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.593 0.711 . . . . 0.0 111.171 -174.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 90.5 Cg_endo -79.62 154.5 23.84 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 -176.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -113.27 129.99 56.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 172.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.3 mm -118.11 138.31 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.193 -174.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -99.99 130.24 46.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.431 HG21 HG13 ' A' ' 152' ' ' VAL . 6.3 t -134.71 177.64 7.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.9 t -149.68 131.55 15.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 168.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.13 -20.26 63.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 166.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -74.05 -69.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 42.1 p -142.24 -44.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.448 ' HB2' ' HB3' ' A' ' 119' ' ' ASP . 75.7 ttt180 -61.13 128.43 36.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.794 -171.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.98 118.47 29.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.982 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.408 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -127.72 -51.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.416 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.431 HG13 HG21 ' A' ' 144' ' ' THR . 15.7 m -55.75 -27.34 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 111.142 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -55.88 -46.33 78.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.89 -43.7 71.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.37 -31.89 73.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 152' ' ' VAL . 89.2 t80 -61.97 -49.79 74.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -173.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -80.54 -36.94 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.4 m -64.52 -44.08 92.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.221 -178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.36 -44.91 96.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.18 -44.61 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -57.69 -48.44 79.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -68.72 -42.93 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -171.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.8 mt -70.27 -39.87 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -64.64 -40.7 95.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -79.98 -32.49 39.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.43 ' OXT' ' CG ' ' A' ' 166' ' ' HIS . 85.9 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 170.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 ttm . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.836 0.35 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.2 m -97.96 125.56 42.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -96.84 133.22 41.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -175.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -119.95 116.37 25.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -96.63 106.07 18.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.881 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.7 mt -107.13 123.76 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.0 125.07 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.9 t -95.73 127.49 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 -178.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.2 m -128.83 152.66 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.5 175.37 39.82 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.38 128.07 34.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.52 146.95 39.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.91 -33.33 6.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.4 t -75.68 -84.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.894 0.378 . . . . 0.0 111.057 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.24 55.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.415 171.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -64.83 -36.56 84.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -83.74 -50.25 8.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.68 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.068 -172.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.78 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 p -82.95 -33.39 26.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.7 -39.22 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -62.64 -24.45 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.57 -41.37 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.417 HG21 ' HB3' ' A' ' 40' ' ' TYR . 47.7 mm -68.52 -30.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.23 -4.42 51.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -176.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 57.17 37.18 28.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -168.18 141.26 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -79.78 116.32 19.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -170.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.4 m -130.96 152.58 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -145.07 24.97 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -109.97 25.73 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -176.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -82.18 130.17 35.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.06 140.01 90.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.872 -176.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.88 151.04 39.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -176.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m 61.85 34.94 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 176.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mm -112.89 135.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.215 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -101.56 39.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -86.62 99.9 12.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.4 m -89.51 156.6 18.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' HB3' HG21 ' A' ' 24' ' ' ILE . 97.7 m-85 -129.47 150.16 50.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -171.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -130.09 140.26 50.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -135.78 130.57 34.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -75.09 125.91 29.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 174.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -133.66 161.79 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.037 -173.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.19 122.5 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.151 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.1 mt -124.51 120.41 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 58.7 29.55 18.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.16 -0.91 88.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -103.6 139.27 39.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.954 0.407 . . . . 0.0 110.878 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.4 m -69.75 122.13 18.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.3 m -132.46 158.64 41.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -109.65 123.24 49.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 172.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.31 97.82 10.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -99.4 109.36 21.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -101.62 116.81 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 mt -102.99 126.29 50.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -171.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -92.63 139.98 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.041 0.448 . . . . 0.0 110.845 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.2 p -109.16 147.42 32.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.05 145.43 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.04 -104.97 2.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.459 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -84.92 159.02 20.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.668 0.27 . . . . 0.0 110.941 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.71 -41.38 53.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -140.03 0.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.38 77.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -173.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.4 t -155.05 154.04 31.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.9 73.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.063 172.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.8 tpp -79.94 -40.17 28.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -80.2 -60.51 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -174.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.01 -42.07 94.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -169.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.92 -49.62 71.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -172.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -77.92 -33.07 51.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -173.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.7 mmm -64.38 -24.75 67.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.954 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -54.15 -36.59 63.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 174.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.8 m -80.91 -50.09 10.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 175.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 26.7 73.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 172.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -51.74 -41.46 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 172.65 159.98 20.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -145.16 150.0 35.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.1 tp -104.65 126.85 52.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.9 115.37 28.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.9 t -101.17 123.94 54.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -94.13 134.0 37.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.45 152.14 28.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mm -80.76 -35.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -173.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -99.85 -40.45 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -84.88 96.25 9.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.1 m -62.7 -33.81 75.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 173.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.51 -18.01 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.7 p -56.81 -33.63 66.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.819 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.91 -48.45 74.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.5 -38.58 90.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.929 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.32 -40.97 98.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.73 -43.06 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -60.08 -43.61 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -63.27 -44.57 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -62.94 -38.01 89.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -59.15 -52.79 64.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.31 -34.53 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 103' ' ' VAL . 28.9 tt0 -66.3 -52.85 43.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -176.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.15 -39.9 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.108 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -55.25 -46.09 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.96 -39.26 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 99' ' ' GLN . 54.4 t -64.54 -38.1 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -94.97 -5.0 45.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 54.97 46.65 23.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -174.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 t -99.93 156.87 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.735 -173.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -79.49 -179.7 6.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.829 169.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -76.59 118.9 19.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.51 160.21 28.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.724 . . . . 0.0 111.08 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -53.46 131.16 42.15 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.5 ttt -145.02 139.98 27.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.6 t -133.79 138.32 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.157 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.6 tp -102.72 123.52 46.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.48 134.57 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.11 147.79 18.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.44 HD21 ' HB2' ' A' ' 146' ' ' ALA . 16.8 t-20 -100.02 170.55 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -170.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.4 mttt 54.97 38.67 30.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.0 m -84.95 -11.39 55.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.854 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -104.33 3.55 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.48 157.46 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.16 94.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 175.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.03 97.54 5.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.054 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -110.04 154.96 22.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -173.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.7 t -84.94 -167.59 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 34.0 m -50.8 154.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.12 132.62 47.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -169.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.2 m -58.06 -34.97 70.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.3 -37.14 84.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.42 -46.15 70.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.12 79.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -65.21 -46.37 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.01 -36.89 85.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.92 -41.03 95.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.443 ' HB1' HG13 ' A' ' 139' ' ' ILE . . . -64.89 -41.32 95.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -67.19 -30.44 70.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.1 m -64.94 -30.99 72.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -94.36 -3.22 50.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.07 29.65 53.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.478 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.443 HG13 ' HB1' ' A' ' 134' ' ' ALA . 45.9 pt -125.05 156.68 69.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.34 150.49 32.62 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.408 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -115.77 127.09 54.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 173.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -125.83 139.94 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.123 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -97.44 133.38 42.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.563 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 6.0 t -135.17 172.36 13.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 177.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 47.1 t -142.6 129.99 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 171.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -59.21 -21.82 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 171.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.05 -64.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 92.8 m -144.77 -44.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -175.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.418 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 75.8 ttt180 -62.67 130.05 43.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -169.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -90.08 121.13 31.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.563 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -136.67 -52.54 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.429 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.427 HG23 HG21 ' A' ' 144' ' ' THR . 56.4 t -55.55 -39.28 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.767 0.318 . . . . 0.0 111.078 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.09 -43.62 82.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -67.17 -34.52 77.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.35 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -62.13 -44.72 96.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 173.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -64.5 -43.97 92.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 92.2 m -66.86 -40.53 87.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.204 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.44 -38.41 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.27 -42.66 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -62.74 -37.67 87.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.08 -36.77 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.4 mt -64.95 -40.34 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.74 -39.2 93.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 -173.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -83.22 -33.39 26.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.411 ' ND1' ' OXT' ' A' ' 166' ' ' HIS . 65.4 t-80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.847 173.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.848 0.356 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.9 m -98.63 124.74 43.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.092 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -92.09 137.0 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -173.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -127.15 140.08 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -97.21 112.56 24.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.5 tp -119.78 128.0 53.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -108.02 132.4 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.251 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -101.57 124.98 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.97 162.12 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.212 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.07 -178.21 40.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.436 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.66 135.52 52.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 111.086 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.12 161.23 50.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.405 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.28 -37.99 3.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.415 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -75.03 -84.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 0.0 111.086 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.67 64.95 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 170.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -66.47 -27.71 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 171.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -66.78 -40.08 88.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.156 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.12 -39.75 93.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.0 m -65.78 -46.97 76.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.77 -38.26 81.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.471 ' HG3' ' HA ' ' A' ' 28' ' ' PHE . 26.7 tt0 -67.13 -49.86 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -167.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.67 -46.32 79.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.899 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -64.99 -33.24 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.72 -2.38 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 55.56 42.62 29.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.454 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 85.3 t60 -158.87 140.63 13.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -176.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.471 ' HA ' ' HG3' ' A' ' 22' ' ' GLN . 79.6 m-85 -80.03 122.09 26.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -172.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -134.96 153.05 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -169.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -145.07 23.61 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -109.12 40.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -68.38 152.96 44.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -98.76 114.61 65.59 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.2 145.88 61.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.8 m 50.01 60.0 4.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 tp -122.9 149.8 26.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.212 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.56 9.9 24.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -75.01 85.06 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.2 m -97.95 160.62 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -130.23 145.65 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -167.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -129.19 137.13 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 171.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -145.42 135.89 24.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -174.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -83.13 127.21 33.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -134.92 160.06 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.8 t -112.68 122.14 66.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.177 172.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 88.3 mt -125.6 121.98 61.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 59.65 26.5 15.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -175.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.22 -4.23 84.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.573 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -100.61 129.15 46.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.872 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -80.23 122.09 26.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -173.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.8 m -127.75 154.78 44.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 tp -113.38 112.11 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 173.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.9 tp -96.95 110.78 23.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -169.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -97.66 109.26 22.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 176.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.5 mt -102.28 115.28 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 tp -104.54 118.32 36.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -92.52 120.69 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -79.56 139.93 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.08 139.94 41.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.0 -114.95 5.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -86.73 143.37 27.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.696 0.284 . . . . 0.0 110.994 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -76.68 -36.44 57.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.874 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -97.01 -11.09 24.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.85 80.51 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.8 t -156.79 136.06 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.41 75.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.051 167.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.4 mtm -66.85 -38.57 86.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -61.76 -51.05 69.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.67 -35.08 79.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -173.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -62.16 -51.06 69.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -169.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -77.02 -37.54 54.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.7 mmm -64.04 -23.26 67.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -57.09 -33.52 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.6 p -91.79 -27.32 18.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.06 22.4 76.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.46 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.84 -49.11 77.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.68 162.25 21.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.531 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -149.98 149.75 30.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.4 tp -100.96 131.54 46.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.8 t -106.66 116.48 32.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -174.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.94 130.02 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.422 ' HB2' HD11 ' A' ' 113' ' ' LEU . 56.1 t80 -112.52 144.14 42.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -170.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.42 157.51 37.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -172.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.7 mm -83.25 -40.43 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -100.17 -40.66 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -80.35 100.05 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -171.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.5 m -64.24 -34.25 77.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.078 172.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.36 -21.67 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -173.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.8 m -56.54 -32.95 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.73 -40.18 91.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.86 -39.13 93.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.78 -38.57 91.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 175.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.12 -40.45 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.03 -43.13 95.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.787 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.17 -42.09 97.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -60.21 -43.48 95.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -59.2 -51.0 71.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.59 -32.45 74.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.994 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -65.0 -47.54 77.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.86 -48.03 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.94 -58.97 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -86.31 -56.76 3.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -170.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.1 t -69.25 -41.37 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -168.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.8 -6.51 42.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 54.93 41.05 32.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -100.22 153.24 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.82 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.1 p30 -75.13 -179.9 4.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.774 173.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -65.33 112.88 3.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.5 t -92.32 130.76 36.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 111.093 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -49.86 126.99 17.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.743 2.296 . . . . 0.0 112.374 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.427 ' HE3' HD13 ' A' ' 139' ' ' ILE . 43.0 ttp -146.57 141.58 27.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 77.0 t -131.1 138.15 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.148 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.422 HD11 ' HB2' ' A' ' 82' ' ' PHE . 51.9 tp -93.61 121.95 35.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 91.7 t -117.09 127.71 74.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.14 139.62 15.45 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.46 173.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -99.89 173.51 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 -174.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 60.4 35.02 20.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 171.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 98.1 m -87.2 4.9 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 -176.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -112.46 2.44 16.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.82 170.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.9 mt -104.71 164.3 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.008 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.44 91.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.41 95.43 4.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.041 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -110.08 159.9 16.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.806 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.2 t -80.12 -170.04 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.8 t -46.5 133.34 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -48.39 137.6 11.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -171.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.0 p -57.78 -30.83 65.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -168.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -65.02 -45.32 86.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 176.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -74.84 -41.18 60.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.95 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -58.0 -49.92 75.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.36 -34.85 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' A' ' 133' ' ' LEU . 0.8 OUTLIER -64.96 -38.6 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 175.454 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.463 ' HB1' HG13 ' A' ' 139' ' ' ILE . . . -68.39 -34.94 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 173.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -65.21 -25.1 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.3 p -65.02 -22.84 67.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.41 ' HB2' HG12 ' A' ' 139' ' ' ILE . 26.2 m-85 -104.93 -0.56 26.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.24 28.82 67.41 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.463 HG13 ' HB1' ' A' ' 134' ' ' ALA . 45.1 pt -120.83 157.3 55.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.688 0.756 . . . . 0.0 111.129 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.35 154.14 31.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.356 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -112.23 128.84 56.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 44.5 mm -121.0 136.13 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.407 ' O ' ' HA3' ' A' ' 151' ' ' GLY . 56.1 mt-10 -102.77 126.98 50.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.2 t -136.9 176.38 8.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 149' ' ' ARG . 31.0 t -148.9 136.01 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 177.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.93 -12.87 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.054 168.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -94.92 -68.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 -168.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.6 p -138.66 -38.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -173.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 145' ' ' SER . 76.6 ttt180 -81.82 103.7 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 -170.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -75.01 121.37 21.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 143' ' ' GLU . . . -131.63 -48.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 174.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 5.7 p -56.62 -28.24 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 0.0 111.16 -168.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.28 -44.48 71.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -67.33 -35.3 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.976 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.34 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -65.59 -42.23 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -64.34 -44.57 91.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 87.5 m -67.65 -43.59 79.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.159 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.03 -44.12 90.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.994 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.86 -38.01 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -55.06 -43.05 73.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 172.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.92 -38.07 82.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.62 -37.28 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -61.95 -26.9 68.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -84.55 -47.01 11.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.793 178.147 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.5 m -111.14 134.86 52.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -90.84 128.73 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -117.62 117.5 29.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -97.87 109.89 22.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.817 -175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.6 tp -106.6 130.04 54.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -105.49 120.41 56.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 168.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.8 t -99.98 124.96 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.9 t -130.42 143.29 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.23 178.08 45.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.22 122.64 25.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 111.043 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.75 141.83 30.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.02 -75.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.2 t -80.44 -49.66 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.85 58.36 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -52.91 -48.62 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.714 0.292 . . . . 0.0 110.838 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -64.95 -39.91 94.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.815 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.68 97.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 61.0 tp -66.37 -40.14 89.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.985 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.436 HG21 ' HB2' ' A' ' 57' ' ' ASP . 97.0 m -66.89 -44.56 80.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -72.77 -37.55 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 -173.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.8 pp0? -65.0 -23.19 67.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.9 tp -70.8 -48.71 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.446 HG23 ' HG2' ' A' ' 25' ' ' GLN . 10.2 tp -78.07 -26.51 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -176.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 97.9 mm-40 -101.57 -23.94 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -176.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.9 m-20 70.19 14.82 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -140.97 146.66 37.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -92.06 120.55 32.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.39 160.78 33.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.08 -25.25 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.1 133.43 48.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -122.27 164.3 18.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -90.1 113.34 56.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.7 168.49 24.66 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.5 p -53.78 -27.24 27.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -76.24 124.36 34.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 170.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -48.93 109.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.799 -173.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -122.82 76.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.9 p -74.98 156.72 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.756 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -124.57 143.38 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.914 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -130.51 139.98 50.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -157.44 136.49 11.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -89.92 127.31 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.9 m -138.24 164.93 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.091 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.0 t -99.78 122.66 51.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 174.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.3 mt -122.61 122.27 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 58.61 30.41 19.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.89 -0.77 89.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.424 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -109.08 129.28 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.925 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -79.11 128.14 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.2 p -146.2 167.39 23.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.1 tp -116.93 120.99 40.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.4 mt -104.35 131.71 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -123.31 109.9 14.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 172.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.42 HD12 ' HB ' ' A' ' 24' ' ' ILE . 75.9 mt -113.24 126.63 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 -171.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 tp -116.26 122.37 44.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' HB2' HG21 ' A' ' 20' ' ' THR . 37.0 t70 -85.21 133.77 34.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.8 173.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.2 p -86.75 158.43 19.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.39 131.33 15.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.069 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.61 62.39 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.2 pm0 -64.16 -18.89 64.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 110.876 -173.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.98 -36.4 77.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.3 mt-10 -118.47 42.52 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 -173.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.547 ' C ' ' O ' ' A' ' 63' ' ' GLU . 66.9 m-85 -27.1 125.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.963 -175.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.1 t -79.96 148.99 30.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.793 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.79 -27.71 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.074 172.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.8 mtm -66.52 -36.95 83.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.884 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -76.98 -38.01 54.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 72' ' ' MET . 99.1 m-20 -59.79 -29.18 68.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -55.26 -52.19 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -74.0 -35.83 64.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.415 ' HB2' ' HA ' ' A' ' 69' ' ' ASP . 74.2 mtp -63.49 -38.32 90.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -176.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -69.76 -32.52 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.981 0.42 . . . . 0.0 110.923 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.5 m -72.96 -47.98 40.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.584 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 75.1 27.28 64.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.413 166.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -50.78 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.78 151.86 20.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.464 168.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -144.05 126.79 16.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 0.0 110.812 -175.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.3 tp -111.38 125.09 53.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.882 -176.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.5 m -106.23 116.85 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.1 t -114.32 125.16 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' HB2' ' OG ' ' A' ' 89' ' ' SER . 44.6 p90 -147.51 162.19 39.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -84.55 140.0 31.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.7 tp -80.4 -20.13 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' A' ' 121' ' ' ALA . 55.6 p30 -104.37 -15.82 15.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -173.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.521 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 38.4 t-20 -88.32 113.33 23.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 172.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.5 m -64.27 -44.27 92.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.7 -28.93 68.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.407 ' OG ' ' HB2' ' A' ' 82' ' ' PHE . 9.6 t -58.24 -33.19 69.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -61.03 -42.63 98.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.26 -33.02 71.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.64 -30.46 67.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -176.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.8 mm -62.31 -44.22 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -63.52 -42.75 98.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.791 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -65.09 -47.36 77.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -64.43 -42.4 96.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.28 -50.32 74.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.032 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -71.66 -40.83 69.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -67.86 -47.64 68.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.6 mt -56.85 -46.94 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.76 -44.01 81.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -70.39 -43.4 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.07 -41.99 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 -173.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -87.33 -2.21 58.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 55.0 43.04 30.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 172.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.1 m -135.99 174.11 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -176.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -75.04 175.97 7.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -177.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -84.49 121.01 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.584 HG11 ' HA3' ' A' ' 75' ' ' GLY . 31.4 m -95.92 155.68 38.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 111.139 -174.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.83 135.94 46.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.611 2.208 . . . . 0.0 112.311 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 24.2 ptp -147.05 159.98 42.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.7 t -121.97 133.92 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.156 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.2 mp -96.93 127.28 42.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.2 t -124.6 126.92 72.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -86.51 136.45 14.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -110.05 166.73 10.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 58.84 57.04 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 173.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.0 m -86.58 -27.08 24.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -103.02 -9.86 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 79.1 mt -101.69 130.47 48.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.48 ' HB3' ' ND2' ' A' ' 85' ' ' ASN . . . 49.53 85.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.048 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.54 142.61 48.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -120.06 178.24 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.872 -172.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.5 p -125.03 73.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 168.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 83.9 t -120.26 134.25 64.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -69.17 122.34 18.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.8 p -64.87 -26.54 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.85 -39.27 91.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -68.32 -45.15 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.91 96.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -69.51 -45.49 68.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.437 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 89.4 m-20 -59.93 -30.16 68.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.818 -178.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 68.6 tp -58.24 -47.07 84.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 141' ' ' TYR . . . -73.61 -33.44 64.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 176.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.437 ' HB2' ' HA ' ' A' ' 132' ' ' ASP . 99.2 mtt180 -65.5 -32.04 73.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -177.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.2 p -65.12 -23.91 67.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -102.83 4.69 38.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.957 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.7 38.89 41.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.0 tp -143.19 132.24 11.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.089 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.72 147.32 24.73 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.707 2.272 . . . . 0.0 112.393 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.499 ' HB2' ' HB3' ' A' ' 134' ' ' ALA . 57.4 t80 -107.36 133.58 51.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -172.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 96.4 mt -116.98 132.31 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -110.0 128.77 55.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.974 173.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.8 t -150.39 -179.87 7.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.455 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 58.2 m -129.87 121.41 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 171.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.71 -25.96 66.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 -172.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.19 -50.01 65.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -171.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.4 p -124.78 -16.78 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -169.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.455 ' HB2' ' H ' ' A' ' 145' ' ' SER . 93.5 mtt-85 -113.32 147.94 36.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -169.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -99.91 110.32 22.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 168.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.2 -27.67 2.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.42 174.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.53 -26.84 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.163 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.78 -47.2 86.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.887 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.89 -35.17 79.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.55 94.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.46 -37.85 83.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -61.52 -36.89 81.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.2 m -63.45 -42.68 98.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 74.1 mt -61.74 -41.8 98.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.83 -43.88 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.069 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.49 -40.14 96.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -65.04 -41.28 95.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.54 -41.4 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.5 -34.37 78.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -70.68 -44.52 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 62.1 m170 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.1 m -79.47 130.1 35.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.071 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -97.88 130.59 44.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -119.59 127.76 53.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.6 100.02 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.801 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.667 ' CD2' ' HA3' ' A' ' 77' ' ' GLY . 44.3 mt -109.39 125.81 52.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -169.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.7 t -103.88 124.01 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.17 128.67 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m -123.0 161.67 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.06 152.37 5.63 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.31 142.48 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.129 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.51 132.38 27.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.541 175.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.03 -54.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.587 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.6 t -108.13 -57.01 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.88 55.05 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 2.1 tmmm? -50.27 -66.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.6 t -69.98 -39.94 75.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.7 94.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -170.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 87.2 mt -65.84 -33.17 75.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.0 m -70.87 -41.88 70.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.0 mt -67.83 -40.91 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -174.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.8 pp0? -62.78 -24.01 67.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -172.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.6 tp -66.18 -44.32 84.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 97.2 mt -80.85 -36.76 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.099 -175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 99.5 mm-40 -96.67 -12.46 23.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -175.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.7 m-20 69.2 15.08 8.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -140.38 139.31 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -102.09 119.74 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 m -124.93 165.13 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -78.49 -11.95 59.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.71 152.41 37.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -137.64 162.5 33.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.979 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -64.78 115.13 17.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.552 0.691 . . . . 0.0 110.902 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.27 166.47 28.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.741 2.294 . . . . 0.0 112.314 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.5 p -55.28 -27.53 47.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 172.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.66 131.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 173.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -47.36 111.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.833 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -142.64 62.77 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 172.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -77.22 158.13 30.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -126.49 144.71 50.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -122.72 141.06 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.888 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -141.49 129.51 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -95.08 123.64 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -137.47 159.96 35.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -173.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -107.73 121.08 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 170.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.2 mt -123.34 121.08 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 56.09 32.4 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.65 -2.07 88.34 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -102.09 118.85 37.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.9 m -77.18 129.18 35.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.157 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -148.64 160.0 43.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.1 tp -111.96 121.73 45.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.2 mt -94.94 110.17 22.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -94.87 108.3 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 174.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.9 mm -105.92 119.2 54.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.081 -168.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 68' ' ' ARG . 69.7 tp -116.92 117.01 28.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.963 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -89.75 139.63 30.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.487 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 67.6 p -85.78 147.35 26.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -155.82 129.67 8.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.049 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.53 49.88 57.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.422 -169.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -59.79 -22.42 62.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.682 0.277 . . . . 0.0 110.812 -167.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.0 -30.27 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.593 ' O ' ' C ' ' A' ' 64' ' ' TYR . 67.7 mm-40 -99.96 33.94 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.593 ' C ' ' O ' ' A' ' 63' ' ' GLU . 66.2 m-85 -20.9 108.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.6 p -79.63 154.85 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.98 -32.83 74.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.065 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -63.82 -44.9 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.881 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.487 ' HE ' ' HA ' ' A' ' 58' ' ' THR . 71.2 mtt85 -75.46 -29.75 59.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.897 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.74 -31.3 72.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.93 -51.53 69.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -72.56 -35.61 68.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.403 ' SD ' HG23 ' A' ' 100' ' ' ILE . 59.9 ttm -64.87 -43.15 93.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -69.75 -30.45 68.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -174.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.9 m -78.68 -49.93 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.88 27.73 64.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.487 165.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -46.79 -48.57 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -177.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.667 ' HA3' ' CD2' ' A' ' 6' ' ' LEU . . . -141.91 153.9 24.54 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 172.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -144.99 116.14 7.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -171.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.3 tp -117.71 125.07 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.465 ' HB3' HD23 ' A' ' 113' ' ' LEU . 42.4 t -107.25 121.36 44.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.1 t -105.29 128.01 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -147.98 178.28 8.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.96 138.22 40.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.6 mt -79.68 -29.94 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -83.67 -19.67 34.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -91.51 115.0 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.0 m -65.91 -43.52 87.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.29 -27.43 67.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.1 t -59.07 -35.92 74.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -66.29 -37.65 85.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -71.45 -32.62 68.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.54 -43.41 98.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.0 pt -73.59 -24.91 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -61.78 -43.25 99.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 169.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -68.89 -40.11 79.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -54.16 -45.09 71.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -57.26 -51.98 67.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.916 -173.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -70.71 -45.16 65.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.444 ' O ' HG23 ' A' ' 103' ' ' VAL . 31.2 tt0 -65.71 -49.04 69.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -174.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.403 HG23 ' SD ' ' A' ' 72' ' ' MET . 90.7 mt -60.2 -42.55 90.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 176.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.95 -43.21 91.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.971 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -65.7 -37.49 86.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 99' ' ' GLN . 64.2 t -67.48 -43.3 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -80.74 -10.28 59.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 55.99 37.39 28.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 174.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.5 m -135.81 171.26 14.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -174.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -77.16 -179.93 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -81.98 109.63 16.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.801 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' A' ' 111' ' ' MET . 31.6 m -85.84 160.95 51.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 111.089 177.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -52.06 128.51 27.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 177.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 109' ' ' VAL . 65.0 mtt -125.2 159.18 32.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.3 t -131.55 136.65 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 163.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' A' ' 80' ' ' CYS . 82.0 mt -98.17 123.84 42.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 175.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 114' ' ' VAL . 10.7 p -125.22 126.12 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 177.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.1 142.14 17.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -97.59 170.05 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.917 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 68.04 40.77 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 53.8 t -67.38 -45.65 75.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 171.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -104.09 -14.03 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.6 mt -95.31 163.18 13.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 54.96 84.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 177.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.55 113.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.426 ' HG3' ' H ' ' A' ' 124' ' ' THR . 20.4 tpt85 -139.74 172.37 12.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.426 ' H ' ' HG3' ' A' ' 123' ' ' ARG . 61.7 p -120.54 73.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 174.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 96.5 t -118.49 118.49 58.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 173.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -70.68 126.92 30.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.1 m -63.94 -33.52 75.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.88 -39.68 93.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.07 -47.41 71.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.91 82.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -66.28 -45.47 80.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.13 -34.24 76.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.52 -39.3 93.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.011 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.621 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -67.18 -38.39 85.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -66.14 -29.88 70.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -174.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.1 p -64.61 -23.94 67.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -105.0 -1.14 26.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.35 28.83 67.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.621 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 90.0 mt -112.61 131.15 22.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.624 0.726 . . . . 0.0 111.115 -173.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.07 144.52 68.71 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.739 2.293 . . . . 0.0 112.266 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -115.96 120.57 39.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.1 mm -118.01 132.27 68.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -109.85 134.5 51.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.457 ' CB ' ' HA3' ' A' ' 151' ' ' GLY . 14.6 t -143.04 177.58 8.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.489 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 36.5 t -143.16 123.21 13.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.45 -20.93 49.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HG2' HG23 ' A' ' 148' ' ' THR . 86.0 tttt -55.76 -63.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 147' ' ' LYS . 62.2 p -133.19 -21.65 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.489 ' HB2' ' H ' ' A' ' 145' ' ' SER . 93.7 mtt-85 -79.0 134.62 36.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -167.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -89.64 111.02 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 165.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -110.47 -29.9 3.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.41 -41.0 91.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 111.16 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.31 -48.43 81.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.93 -35.32 80.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.18 94.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -63.54 -41.7 98.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -64.41 -40.96 96.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.5 m -66.93 -39.17 87.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 173.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.47 -46.86 81.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -173.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.26 -28.31 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.38 -41.16 94.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 172.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -68.69 -35.91 77.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.41 -42.66 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -71.77 -22.71 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -80.0 -59.95 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.807 -177.483 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.4 m -92.8 120.76 33.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.16 143.08 51.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -116.74 129.58 56.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.023 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -99.98 115.17 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -111.53 127.92 55.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.924 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.0 t -105.7 123.24 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.7 t -98.73 120.8 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.1 t -133.32 142.79 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.621 ' HA3' ' HB ' ' A' ' 81' ' ' VAL . . . 173.14 -174.39 45.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HB3' HG21 ' A' ' 14' ' ' VAL . . . -67.49 137.5 55.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.116 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.32 141.91 34.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.07 17.95 73.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.461 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.461 HG21 ' HB3' ' A' ' 11' ' ' ALA . 88.1 t -104.74 -63.79 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.118 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.37 54.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -77.13 -48.15 18.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.802 0.334 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.406 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 39.8 t -71.22 -41.33 70.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.771 171.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.88 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -171.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.61 -33.06 73.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.6 m -64.46 -42.19 96.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.43 -38.4 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 32.6 tp60 -60.09 -31.42 70.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.59 -45.97 18.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 175.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.0 mm -80.04 -51.43 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -170.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -97.96 -22.88 16.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.482 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 14.7 m120 69.54 34.97 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 175.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -159.84 142.15 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -89.29 116.42 27.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.801 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.72 166.48 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -88.01 8.3 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -89.99 79.06 6.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 24.8 t80 -80.65 135.8 36.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -61.98 145.4 92.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.688 . . . . 0.0 110.896 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.89 158.45 51.12 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -40.56 -52.14 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -107.89 130.01 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -158.89 155.72 28.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -76.22 171.39 14.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.418 ' HB3' HD13 ' A' ' 56' ' ' LEU . 99.7 p -80.05 160.9 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -124.67 143.81 50.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -133.14 144.45 49.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 -171.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -150.44 142.27 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -69.96 124.4 23.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -137.28 164.97 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.41 120.13 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 172.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -125.23 121.59 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t0 57.02 35.34 26.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -174.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.67 -0.76 85.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.539 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -108.06 130.08 55.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.88 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -70.7 127.49 32.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 175.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.3 p -152.9 173.75 14.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.9 tp -105.02 120.04 40.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.5 tp -97.82 114.94 27.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -108.61 112.53 24.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.1 mt -107.31 122.23 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -172.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD13 ' HB3' ' A' ' 39' ' ' SER . 51.3 tp -110.47 124.79 52.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.986 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -86.14 150.22 24.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.1 p -88.5 164.28 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 62' ' ' GLU . . . -139.46 85.51 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.77 -117.08 9.73 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.547 176.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -85.65 -11.18 54.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.94 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 70.9 mm-40 -73.19 -9.23 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 174.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -54.38 -20.03 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -109.96 77.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -137.15 176.33 8.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.28 75.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.187 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.5 mtp -65.05 -42.34 94.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 177.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.412 ' HD3' HD21 ' A' ' 56' ' ' LEU . 1.8 mpp_? -76.22 -32.41 58.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -176.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.8 -39.56 94.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.45 -47.19 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -176.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -76.31 -46.54 27.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.985 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.1 tpt -65.13 -31.89 73.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.813 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.13 -39.28 92.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 63.4 m -80.03 -46.62 16.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.44 27.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 168.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -74.22 -46.0 44.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.76 162.59 28.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.457 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -153.39 129.17 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -175.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.5 tp -111.56 126.01 54.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.946 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 76.6 m -103.31 122.41 44.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.621 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 58.4 t -108.41 118.46 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 -174.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.19 146.55 39.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.29 151.13 21.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.423 HG13 ' HB2' ' A' ' 123' ' ' ARG . 2.5 tp -89.17 -26.08 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -177.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.4 p-10 -97.14 -38.79 9.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -173.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -84.96 99.97 11.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -59.26 -36.44 75.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.51 -24.95 67.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -58.46 -37.53 75.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.913 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -63.28 -43.2 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.95 -42.94 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.23 -40.91 94.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.73 -39.93 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -57.83 -44.03 86.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -65.06 -41.22 95.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -59.71 -38.27 81.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -57.98 -48.33 80.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.53 -33.78 74.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -65.38 -45.42 84.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.984 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.44 -42.22 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.51 -43.69 80.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.98 -37.74 84.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.895 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.99 -40.07 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -84.46 -15.95 44.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 177.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 61.76 29.35 18.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -173.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.9 t -176.7 145.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.812 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -136.13 104.95 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -136.57 75.66 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 173.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.44 130.06 6.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.681 0.753 . . . . 0.0 111.067 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.5 134.22 23.96 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.629 2.22 . . . . 0.0 112.347 172.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 23.4 ptp -135.11 154.96 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -174.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.43 ' HA ' HD13 ' A' ' 139' ' ' ILE . 9.7 p -128.18 139.98 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.7 mt -97.85 116.25 29.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.006 -173.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.9 t -126.8 125.62 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.22 144.12 16.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.543 175.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -98.76 170.01 9.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 54.36 35.37 22.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.2 m -75.01 -8.59 56.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -94.89 0.92 55.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 tp -80.62 121.64 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.17 93.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.71 86.47 4.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.04 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.423 ' HB2' HG13 ' A' ' 84' ' ' ILE . 35.7 ptt-85 -145.34 155.22 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.855 -176.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.0 p -132.97 75.02 1.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 67.9 t -124.21 115.0 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -82.15 126.93 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 174.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.2 p -62.87 -29.85 71.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.72 -36.51 84.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -66.44 -45.26 80.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.66 95.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -66.61 -46.41 75.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.38 -41.93 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.82 -41.17 83.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.06 91.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.68 -32.88 70.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 71.5 m -67.45 -34.06 76.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -103.73 -0.79 28.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.34 34.09 86.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 112' ' ' VAL . 20.4 tt -156.32 132.36 5.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.708 0.766 . . . . 0.0 111.128 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 74.2 Cg_exo -54.97 147.62 51.54 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 -178.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -84.95 132.9 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.1 mm -109.25 133.23 55.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 -172.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -107.13 129.7 54.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.415 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 14.9 t -141.97 165.85 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 176.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.436 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 27.6 t -135.85 116.21 13.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 168.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.85 -22.34 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.121 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' A' ' 148' ' ' THR . 85.8 tttt -60.0 -62.85 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -174.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 147' ' ' LYS . 77.0 p -130.17 -24.51 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.436 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 45.0 ttt85 -90.02 130.01 36.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -166.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -96.76 101.0 12.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.415 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -109.03 -8.55 27.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.74 -41.32 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -57.29 -44.3 83.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.29 -39.92 89.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.63 94.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -65.27 -42.74 92.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -62.76 -40.22 96.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.965 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 92.5 m -68.97 -40.01 79.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.78 -47.73 82.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.999 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.94 -32.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.198 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.22 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -69.96 -35.51 74.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.01 -46.55 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.94 -23.01 63.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -174.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -89.69 -50.08 6.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.962 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.2 m -89.26 127.06 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.14 140.31 53.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -115.08 130.46 56.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.937 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -112.08 104.88 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -176.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.3 tp -104.95 116.42 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.6 t -99.86 119.41 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.9 t -106.53 117.0 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.53 142.16 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.073 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.73 -166.79 36.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.95 119.24 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.141 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.09 153.01 30.33 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.86 5.84 83.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 175.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.2 t -101.79 -70.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.813 0.339 . . . . 0.0 111.154 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.54 54.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.555 170.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -70.43 -53.25 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.7 p -68.17 -32.75 73.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.791 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 29' ' ' VAL . . . -63.09 -38.25 90.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.595 HD11 ' HA3' ' A' ' 151' ' ' GLY . 36.7 tp -67.58 -41.59 83.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.8 p -68.15 -17.47 64.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.5 mm -56.23 -30.04 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 17.0 tp60 -56.57 -39.78 74.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.86 -38.68 37.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mm -80.74 -52.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 -171.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.569 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 93.0 mm-40 -107.08 -14.99 14.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -172.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.569 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.5 m-20 80.04 36.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 172.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -158.15 165.02 36.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 171.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 22' ' ' GLN . 73.9 m-85 -104.91 128.6 53.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -177.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.503 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 30.5 m -133.16 160.0 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.053 172.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -100.27 9.97 41.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -94.18 94.12 8.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -90.02 161.22 15.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.999 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.432 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 95.4 m-20 -66.61 149.97 97.78 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.522 0.677 . . . . 0.0 110.932 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -50.25 154.01 6.31 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.626 2.218 . . . . 0.0 112.392 173.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 m -46.42 -42.02 14.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.0 mt -108.1 107.09 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.15 172.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HB3' ' HB3' ' A' ' 33' ' ' ASP . 7.3 tp10 -170.02 153.29 4.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -178.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -82.51 169.98 15.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.8 p -111.16 174.27 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -112.23 152.6 28.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -162.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp85 -129.25 150.12 50.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.856 174.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -146.83 136.65 23.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -172.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -76.43 124.24 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 173.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.6 161.88 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -171.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -107.33 123.73 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 171.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.23 118.97 56.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 55.0 34.26 22.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -176.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.11 -3.06 87.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.506 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -97.27 122.09 39.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -79.31 124.98 28.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 177.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.6 p -152.88 171.18 18.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -172.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -105.7 120.95 42.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.3 tp -97.87 111.1 23.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -102.32 112.7 25.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.1 mt -104.75 117.98 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -104.82 110.67 23.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -100.0 128.09 46.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.8 p -94.64 160.66 14.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.52 133.14 27.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.2 -115.25 7.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.467 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -108.18 16.77 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -65.29 -31.52 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.7 pm0 -60.31 -20.88 60.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -172.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -94.92 87.87 5.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 174.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.9 p -165.15 163.08 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.53 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mmm -64.03 -37.11 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -79.84 -36.07 37.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.07 -39.3 71.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -55.52 -44.35 76.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -74.22 -35.56 63.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.0 mmm -66.27 -25.8 67.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -60.93 -33.36 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.6 m -87.04 -50.02 6.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.594 ' HA3' HG22 ' A' ' 109' ' ' VAL . . . 73.6 39.71 48.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 166.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -61.65 -57.58 11.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.18 158.33 27.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 176.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -143.55 127.79 17.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.5 tp -110.43 121.02 44.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.964 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.0 t -105.59 115.86 30.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 178.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.57 123.67 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -170.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -110.6 152.84 25.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.7 135.87 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 164.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.5 pt -87.48 -13.83 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -170.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -94.87 -38.89 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 -177.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -88.3 103.62 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.4 m -58.93 -37.55 76.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.27 -27.41 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -174.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.1 m -60.56 -38.46 84.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -63.32 -43.69 97.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.815 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.29 -43.46 70.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.68 -42.25 95.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.0 -40.11 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -56.87 -43.92 81.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.96 -41.95 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -57.05 -40.93 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -62.67 -43.13 99.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.864 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.02 -38.77 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -65.9 -46.4 78.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.22 -41.58 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.92 -41.76 83.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.72 -35.12 79.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.39 -40.06 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -88.39 -12.86 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 62.29 25.64 15.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -175.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.2 t -179.1 147.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -121.93 110.76 16.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 171.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -129.96 36.26 4.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 171.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.594 HG22 ' HA3' ' A' ' 75' ' ' GLY . 80.8 t -119.41 121.52 30.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.697 0.761 . . . . 0.0 111.086 -174.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -68.64 136.61 36.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 27.8 ptm -138.83 153.47 48.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.1 t -125.02 136.27 61.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.45 HD13 ' HG ' ' A' ' 133' ' ' LEU . 31.5 mt -95.2 114.57 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -174.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.3 t -129.56 129.82 66.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.81 151.23 18.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 170.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -100.02 170.09 8.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 58.12 45.09 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 174.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.2 p -67.17 -17.58 64.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.914 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -93.44 0.63 56.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.1 tp -85.08 119.77 25.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.14 89.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.066 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.22 119.43 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -165.84 153.5 10.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.4 p -135.05 70.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.9 t -124.58 119.77 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -78.76 132.84 37.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.8 p -63.56 -31.86 73.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.97 -37.47 87.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -66.92 -42.78 84.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.0 94.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -65.11 -49.78 68.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.08 -35.31 79.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.45 ' HG ' HD13 ' A' ' 113' ' ' LEU . 55.1 tp -62.79 -46.03 89.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.21 94.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.21 -31.7 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 96.0 p -67.67 -29.9 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.783 -176.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -109.49 -1.12 18.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -178.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.51 29.06 71.72 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.407 175.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 139' ' ' ILE . 4.3 tp -149.98 126.76 5.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.7 0.762 . . . . 0.0 111.122 -176.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 72.6 Cg_exo -54.83 145.01 63.69 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.287 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -94.6 125.82 39.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 48.1 pt -120.23 148.64 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.115 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -106.28 128.61 54.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 30.4 p -134.4 178.84 6.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.208 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.443 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 46.4 t -138.5 122.11 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 173.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.91 63.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.161 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -73.91 -52.15 13.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -166.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 66.6 p -129.38 -27.78 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.2 -171.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.443 ' HB2' ' H ' ' A' ' 145' ' ' SER . 40.0 mmt180 -88.24 151.26 22.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -164.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.11 116.42 10.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 176.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.595 ' HA3' HD11 ' A' ' 19' ' ' LEU . . . -125.58 -98.23 1.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 -172.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.455 ' HB ' ' HG ' ' A' ' 19' ' ' LEU . 13.3 p -53.55 -30.27 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 -173.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -56.26 -47.59 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.55 -41.67 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.52 93.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.89 -37.32 84.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -59.87 -40.94 90.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.3 m -62.03 -42.85 99.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.32 -46.39 83.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -176.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 32.7 m -73.25 -28.03 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.45 -39.66 94.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.84 -39.95 83.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.34 -45.89 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -70.51 -41.72 72.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.819 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -74.73 -35.03 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 174.746 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.4 m -92.46 123.59 35.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -125.61 145.03 50.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.845 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -118.54 111.54 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.001 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.14 100.11 12.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.1 tp -107.53 119.76 40.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.7 t -98.58 118.99 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.15 125.05 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.1 m -134.18 156.25 40.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.468 ' HA3' ' HB ' ' A' ' 81' ' ' VAL . . . -172.76 -177.1 41.86 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.66 136.91 50.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.094 -173.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.79 93.84 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.42 11.55 3.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 172.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -92.13 -65.96 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.04 72.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.491 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -73.96 -49.97 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 -170.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -65.11 -40.02 93.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.04 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.48 -38.07 88.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.438 ' HB ' HG21 ' A' ' 55' ' ' ILE . 76.0 p -65.15 -26.51 68.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -176.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.34 -27.88 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.504 ' HG3' ' HB2' ' A' ' 153' ' ' GLU . 8.5 tp-100 -56.23 -32.76 64.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.39 -42.76 29.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mm -80.03 -56.82 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -166.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -113.15 -5.08 13.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 14.1 m120 68.36 48.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 175.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -159.97 147.46 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -176.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -103.99 120.89 42.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 173.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.03 154.28 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 -168.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -98.19 -21.14 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -81.05 82.69 6.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -73.38 142.15 46.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -169.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -69.85 153.58 95.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -60.4 156.47 40.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.7 m -45.66 -45.02 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.911 -174.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -101.02 126.87 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 175.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -159.55 154.85 25.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -75.28 170.03 16.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.6 p -83.45 170.2 14.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -122.05 145.63 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.86 147.24 51.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -150.95 134.62 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -73.9 124.95 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 53' ' ' LEU . 32.6 m -137.61 166.06 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 -175.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -107.69 122.57 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 171.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 87.8 mt -127.12 127.15 69.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 89.9 m-20 64.63 22.64 12.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -175.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.44 0.76 89.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -108.98 131.27 55.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.91 0.386 . . . . 0.0 110.85 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.4 m -68.6 129.22 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.196 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 p -153.76 174.95 13.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.1 tp -106.57 123.74 48.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' HB2' HG21 ' A' ' 44' ' ' VAL . 57.7 tp -94.24 118.07 31.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -108.12 116.4 31.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.438 HG21 ' HB ' ' A' ' 20' ' ' THR . 42.7 mm -100.77 117.85 46.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.3 tm? -100.01 115.46 29.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -102.69 132.6 48.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 174.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 p -80.79 158.0 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -144.78 86.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.26 -110.98 3.78 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -96.08 2.12 53.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -62.97 -32.08 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -59.42 -21.03 59.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -97.46 77.82 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.027 174.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -151.38 165.46 34.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.53 -32.44 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.7 mtp -64.37 -42.84 95.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -79.98 -24.25 41.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.35 -36.52 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -65.12 -43.44 91.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -63.85 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.6 tpp -68.46 -34.16 75.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.896 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -60.35 -36.3 77.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -175.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -87.5 -53.31 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.212 173.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.31 29.98 75.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.479 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -44.06 -48.98 8.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -170.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.75 154.42 25.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.452 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -130.09 132.42 46.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.915 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 57.9 tp -110.18 126.41 54.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.7 m -105.63 124.4 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.468 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 95.6 t -106.71 134.12 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.452 ' HB2' HD11 ' A' ' 113' ' ' LEU . 92.9 t80 -123.22 138.76 54.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.81 134.17 42.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 175.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.1 tp -79.67 -20.05 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -98.87 -36.23 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -82.71 101.36 10.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.2 m -57.89 -36.37 72.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.17 -26.21 60.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.9 t -52.52 -37.42 57.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -175.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -59.58 -42.92 93.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.57 -37.02 86.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 87.1 m-20 -64.08 -48.65 75.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.9 pt -72.66 -25.61 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.6 -50.24 72.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 8.4 pt20 -70.09 -30.18 67.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -59.8 -45.4 92.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -62.27 -46.2 89.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.44 -38.82 88.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.51 -47.24 79.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.5 mt -56.15 -43.52 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.216 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.03 -45.12 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -65.61 -39.02 91.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -171.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.85 -39.6 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -95.85 -7.3 37.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 60.51 30.45 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 t -174.98 143.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -174.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -135.99 110.59 8.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 173.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -135.35 48.34 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 168.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.87 120.38 19.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 111.141 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.0 131.79 48.51 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 65.5 mtt -121.87 153.81 37.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.6 134.4 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 82' ' ' PHE . 37.9 tp -103.64 125.04 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 178.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 114' ' ' VAL . 8.5 p -119.33 125.02 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.06 137.42 13.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.555 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -94.69 156.74 16.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 99.4 mttt 46.49 50.8 12.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.5 p -68.94 -17.48 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -91.89 -3.85 55.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.506 ' HB2' ' HB3' ' A' ' 117' ' ' LYS . 55.7 tp -65.13 130.43 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -89.63 -34.29 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.003 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.26 85.37 7.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.081 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -159.98 173.18 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 -175.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.2 p -125.09 24.37 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.136 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.39 133.52 52.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -85.41 129.6 34.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 167.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.5 p -62.21 -28.74 69.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -175.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.85 -38.34 90.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.934 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -68.73 -43.34 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.48 -34.92 73.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 177.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -64.74 -45.27 87.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -63.36 -33.74 76.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.86 -36.65 80.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.949 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.04 77.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 172.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.27 -32.48 73.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.5 p -67.62 -22.52 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.402 ' HB2' HG12 ' A' ' 139' ' ' ILE . 77.9 m-85 -99.18 -4.03 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.85 26.9 65.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.42 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.402 HG12 ' HB2' ' A' ' 137' ' ' TYR . 43.2 pt -125.17 153.4 71.66 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.68 0.752 . . . . 0.0 111.034 -174.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.29 151.67 54.66 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -118.77 129.39 55.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 73.0 mt -117.88 134.89 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.05 115.51 27.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 41.7 p -135.22 -179.78 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -154.04 118.16 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.809 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.09 -22.89 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.066 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -71.63 -50.87 26.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -171.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 80.7 p -125.12 -20.85 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 -171.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -105.72 172.34 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -170.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -86.82 132.59 33.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 166.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -115.23 -82.52 1.03 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -173.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.46 -39.95 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 111.119 -176.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.504 ' HB2' ' HG3' ' A' ' 22' ' ' GLN . 88.5 tt0 -56.87 -45.16 82.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -66.97 -41.93 86.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.66 85.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.33 -40.26 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -61.46 -40.11 93.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 98.1 m -66.96 -40.57 87.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.102 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.5 mt -59.33 -45.44 91.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.22 -45.03 99.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.05 -47.21 83.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -79.3 -48.0 14.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -174.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.0 -46.58 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 -172.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -71.59 -24.58 61.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -80.0 -60.01 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -177.566 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.889 0.376 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -96.96 117.93 32.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -142.62 120.44 11.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -119.74 142.33 48.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 175.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -103.64 112.21 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mp -116.55 132.48 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.703 HG21 ' HB3' ' A' ' 71' ' ' TYR . 53.0 t -119.41 132.5 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 178.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.9 t -98.26 119.91 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.64 165.71 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.4 -173.43 41.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.419 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.01 145.1 54.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 111.036 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.45 130.69 40.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.68 -21.46 40.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 175.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.63 -69.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 111.042 -172.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.94 69.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.444 174.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -50.01 12.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.7 m -72.77 -29.89 63.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.91 -39.2 68.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 tp -69.62 -45.33 68.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.9 p -65.76 -30.98 71.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.1 mm -75.95 -37.99 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 172.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 28.5 tp60 -63.99 -38.11 89.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.973 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.3 -48.19 20.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -88.58 -46.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -170.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -101.1 -9.12 21.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -174.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 96.3 m-20 68.65 34.27 3.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -135.67 149.42 49.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -112.96 105.3 13.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 174.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.22 160.6 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.198 -171.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -95.31 9.39 40.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -82.01 81.38 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -75.25 150.04 38.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.004 -170.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -75.6 151.01 84.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.83 -169.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.9 163.43 33.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.395 175.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.525 ' HB3' ' HA3' ' A' ' 60' ' ' GLY . 92.5 p -65.41 -15.09 62.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.81 129.9 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.184 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -48.67 110.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -133.73 74.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.7 p -78.61 158.86 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -127.03 159.84 32.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.91 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -123.96 138.13 54.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -141.27 132.72 26.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -172.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -108.79 130.13 55.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 175.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.06 159.36 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -173.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -109.76 123.21 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.2 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -126.31 113.87 35.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.31 34.31 17.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.09 -0.06 88.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -96.05 134.34 39.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.855 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.8 m -83.31 122.46 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.181 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.0 m -128.46 141.24 51.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -177.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.4 tp -115.41 129.51 56.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.897 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 pp -137.22 149.87 47.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -102.23 133.85 46.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.4 mt -105.62 120.2 56.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.501 ' HB2' HG22 ' A' ' 7' ' ' VAL . 80.0 mt -103.89 125.67 50.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 176.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -92.39 163.36 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -177.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.8 m -111.47 130.56 55.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -170.3 141.14 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.525 ' HA3' ' HB3' ' A' ' 35' ' ' SER . . . 79.17 29.51 50.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 169.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -167.46 149.29 5.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.343 . . . . 0.0 110.843 175.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -75.38 -44.72 43.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.39 -60.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -171.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -169.09 142.75 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.985 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 t -99.87 -162.62 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 168.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.31 -34.95 77.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.7 mtp -65.01 -42.55 94.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.3 -22.3 30.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -174.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.35 -27.16 69.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -62.33 -51.38 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -174.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.703 ' HB3' HG21 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -68.06 -27.02 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -177.572 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.1 mtp -64.49 -37.42 87.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 172.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -69.68 -43.04 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.9 p -94.73 -54.06 3.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -171.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.453 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 81.73 23.27 58.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -176.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.57 -44.5 93.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.985 0.421 . . . . 0.0 110.887 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.02 145.13 4.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -155.73 152.35 28.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.419 . . . . 0.0 110.827 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.0 tp -102.1 128.54 48.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 -176.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.49 113.55 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.1 m -114.91 138.53 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -140.95 161.54 37.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.76 132.23 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.6 tp -74.86 -19.89 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.15 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -91.5 -17.92 24.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -175.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -91.86 113.55 25.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.9 m -68.42 -44.38 75.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.65 -34.72 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -173.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.9 m -61.51 -38.84 88.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.004 0.43 . . . . 0.0 110.847 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -60.28 -41.5 93.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -71.16 -38.68 72.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.19 -40.63 94.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.833 -171.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.7 pt -67.37 -32.42 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -65.91 -48.8 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 174.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.22 -43.05 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.49 -48.75 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -60.73 -45.02 95.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.904 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.95 -35.96 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -68.8 -52.62 28.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -175.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.1 pt -62.36 -31.67 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.68 -44.54 96.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.27 -36.83 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.01 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -94.98 2.16 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 47.95 45.07 19.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.7 m -113.49 161.27 17.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -170.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -85.3 -175.13 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -70.41 119.86 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.453 HG11 ' HA3' ' A' ' 75' ' ' GLY . 30.9 m -112.49 158.94 35.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.089 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -54.45 128.44 30.15 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 -177.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 66.1 ttp -152.1 152.07 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.9 t -124.89 131.19 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.131 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.4 tp -105.23 122.12 45.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -174.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.3 128.49 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 -173.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.24 133.59 11.37 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.5 170.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -95.38 175.07 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 -173.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 47.15 47.42 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 173.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 25.3 p -73.48 -7.83 53.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -96.69 -7.06 35.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 175.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.6 tp -74.84 128.43 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.52 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.92 88.17 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -128.32 169.12 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 10.9 t -84.4 -166.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 168.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.8 p -40.05 136.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.17 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -52.77 153.65 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -163.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.5 p -63.04 -18.2 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -60.27 -33.95 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -64.93 -39.8 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.85 78.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.6 -47.01 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.54 -35.88 80.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.93 -43.72 91.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 176.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.31 86.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 175.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.43 -37.37 86.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.3 p -66.67 -23.59 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.453 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.8 m-30 -93.19 -6.88 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 178.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.26 28.79 67.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.515 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.462 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 46.0 pt -127.41 160.06 62.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 111.093 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 77.6 Cg_endo -72.58 150.79 51.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.365 175.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -116.48 134.08 55.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 42.8 mm -109.84 128.28 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -106.28 122.7 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 171.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.573 HG21 ' HA3' ' A' ' 151' ' ' GLY . 14.6 t -143.52 176.12 9.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.05 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 24.7 t -122.21 117.37 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 172.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.05 -26.88 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -176.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -89.53 -52.43 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -174.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 77.3 p -106.21 -19.38 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 -162.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.47 ' HB2' ' H ' ' A' ' 145' ' ' SER . 88.1 mtt-85 -119.77 160.63 22.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 -171.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -89.95 111.06 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 170.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.573 ' HA3' HG21 ' A' ' 144' ' ' THR . . . -111.08 -74.58 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 -172.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.73 -32.37 42.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 111.174 -169.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.08 -46.78 87.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -69.2 -35.48 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.61 91.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.79 -42.45 97.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -61.39 -38.97 88.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 177.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.4 m -65.13 -43.81 90.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.129 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.77 -48.81 78.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.927 -174.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.36 -34.94 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.049 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.84 -42.0 95.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -68.83 -36.83 78.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -66.93 -44.4 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.031 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -66.86 -33.41 75.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -76.25 -59.85 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -178.958 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.1 m -100.55 127.79 46.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -111.86 133.85 53.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -122.42 143.72 49.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 173.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.92 109.4 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -106.74 119.08 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -175.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.0 t -118.16 118.8 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -96.56 126.59 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -175.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 m -129.35 164.56 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.202 -170.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 81' ' ' VAL . . . 145.72 -174.44 25.7 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.23 141.52 54.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.063 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.09 134.23 36.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.474 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.53 -1.36 64.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 175.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.4 t -86.88 -64.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.102 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.01 66.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -48.35 14.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 168.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -66.13 -31.88 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.796 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.15 -39.12 63.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 -170.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.97 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.906 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -60.98 -39.97 91.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.43 -42.43 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 1.5 tm0? -65.12 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.83 -49.87 34.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.1 mm -83.03 -41.82 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 -171.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -109.94 -27.77 9.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.998 -172.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 11.7 t30 70.11 40.62 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -129.82 157.22 42.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -110.93 100.16 8.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.8 m -135.17 165.9 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -95.05 10.01 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.56 79.07 9.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -82.15 159.62 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -170.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -64.58 149.62 95.15 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.727 . . . . 0.0 110.807 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.81 159.47 51.29 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 176.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -64.94 -15.09 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.23 129.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.97 108.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -142.83 98.09 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.7 p -80.93 154.98 26.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -128.6 161.23 30.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.97 143.26 50.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -147.82 130.01 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -94.47 127.0 40.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 174.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -136.82 164.88 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -99.51 119.7 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 174.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.4 mt -126.18 123.63 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t0 60.51 31.14 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -176.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.4 -0.37 89.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -109.96 128.96 55.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.944 0.402 . . . . 0.0 110.799 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.3 m -74.48 128.56 35.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.16 167.83 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.2 tp -112.68 134.61 54.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.878 ' O ' HD12 ' A' ' 53' ' ' LEU . 2.8 pp -124.6 145.33 49.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 177.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -98.0 135.66 39.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 177.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.0 mt -105.91 115.05 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 -172.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.6 mt -120.15 116.51 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -94.2 133.15 38.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.4 p -112.21 157.56 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.99 138.41 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.94 51.6 18.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 167.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -116.09 147.43 41.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.18 -53.13 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -119.95 -55.78 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -168.51 149.14 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.7 p -86.62 175.94 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.9 -32.72 73.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 168.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 67.6 mtt -68.13 -41.79 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.75 -35.47 78.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -61.38 -34.54 75.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -62.58 -50.82 69.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -175.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -72.53 -27.01 61.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -177.356 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 86.3 mtp -65.28 -39.28 92.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 170.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -72.26 -39.73 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.888 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -90.45 -55.11 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.097 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.73 24.76 37.45 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.428 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -67.99 -41.03 82.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.97 0.414 . . . . 0.0 110.79 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.1 157.12 8.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.549 174.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -153.58 149.82 28.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.3 tp -104.21 127.91 51.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.0 t -111.55 115.67 29.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.449 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 21.4 m -114.6 143.43 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -141.07 163.51 32.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.54 130.78 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.607 ' O ' HG22 ' A' ' 124' ' ' THR . 8.8 tp -69.89 -17.04 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -174.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -91.54 -15.67 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -86.19 116.85 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.1 m -67.67 -41.26 84.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.096 -178.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -75.19 -28.08 59.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.857 -167.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -63.15 -57.69 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -164.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -68.9 -27.89 66.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.935 -175.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.55 -43.77 75.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.89 -35.07 77.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.89 -39.94 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -54.71 -45.23 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.3 -43.17 91.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -60.31 -39.59 87.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -59.99 -47.26 86.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -69.71 -36.31 75.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.65 -53.64 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -172.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.2 pt -63.46 -31.84 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.045 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.72 -45.68 91.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 176.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -71.28 -37.47 71.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.7 t -63.13 -40.22 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -94.96 0.73 54.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 49.17 44.92 23.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.856 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.3 m -120.03 171.52 8.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -170.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -84.57 -175.85 5.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.83 139.68 55.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.64 156.49 61.42 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 111.113 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -55.14 121.05 9.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.285 -175.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.3 ttt -145.63 142.35 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.1 t -129.35 133.78 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 169.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -102.98 118.41 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.7 t -122.46 128.02 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -174.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.22 143.17 15.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 171.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -92.58 174.03 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.883 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.493 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 98.2 mttt 55.9 64.84 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 170.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.25 -15.07 60.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -101.37 4.68 41.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 117' ' ' LYS . 55.4 tp -75.54 132.71 40.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.89 -36.92 18.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.58 75.75 10.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -117.44 171.68 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 84' ' ' ILE . 14.5 t -80.06 -167.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.212 175.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 79.5 t -43.29 141.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.147 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -47.01 150.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 -166.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.8 p -62.26 -18.91 62.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.38 -31.6 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -63.47 -47.88 79.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.24 -34.89 78.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -63.02 -42.72 99.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -68.92 -36.01 77.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 133' ' ' LEU . 0.6 OUTLIER -65.46 -36.83 85.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 175.828 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.39 -36.13 78.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 170.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -65.08 -33.81 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 56.6 p -64.23 -24.85 67.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -175.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -106.43 -0.07 24.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.6 33.62 67.27 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.409 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 46.8 pt -112.45 148.88 40.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 0.0 111.126 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 51.9 Cg_exo -58.66 142.64 98.65 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -123.67 130.02 52.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 88.1 mt -123.53 126.7 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -101.95 110.34 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 171.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.2 t -151.43 -174.46 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 -172.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 74.5 m -129.92 124.92 34.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 171.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.51 -30.88 71.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -87.01 -49.31 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -170.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.1 p -107.08 -15.7 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.126 -164.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.404 ' HB2' ' H ' ' A' ' 145' ' ' SER . 36.1 mmt180 -116.5 158.54 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -74.01 91.27 2.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 173.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -111.11 -74.99 0.77 Allowed Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.455 -171.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.8 m -60.09 -30.77 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 0.0 111.099 -168.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.76 -49.8 76.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.84 -35.66 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.85 95.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -65.05 -39.75 93.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -62.02 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.7 p -71.65 -30.83 66.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 53.7 tp -64.48 -42.63 95.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.8 t -61.59 -40.08 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.044 174.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.04 -38.36 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -69.37 -38.57 78.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.27 -45.01 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -68.03 -25.57 65.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -75.39 -48.06 24.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.965 175.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.7 mtm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.893 0.377 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -81.35 129.72 34.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -87.22 127.43 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.646 ' OH ' ' HA3' ' A' ' 77' ' ' GLY . 63.1 t80 -117.15 127.78 54.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -94.83 99.86 11.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.438 HD23 HG12 ' A' ' 55' ' ' ILE . 64.1 tp -102.92 117.64 35.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -176.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.09 131.47 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -78.83 125.03 38.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.39 139.91 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' A' ' 81' ' ' VAL . . . 128.36 166.03 11.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.445 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.21 146.19 28.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.81 0.338 . . . . 0.0 111.114 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.97 -163.52 34.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.27 -4.74 25.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.91 -62.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.949 0.405 . . . . 0.0 111.221 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.03 70.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.31 -34.22 77.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 t -61.71 -43.01 99.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 177.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.43 ' HB2' ' CD2' ' A' ' 32' ' ' TYR . . . -57.77 -42.99 85.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.111 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.402 HD22 ' HB ' ' A' ' 152' ' ' VAL . 93.0 mt -63.78 -41.9 97.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -176.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.9 p -73.88 -34.26 64.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.0 mt -66.6 -42.75 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 25.2 mt-30 -65.25 -32.47 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -62.45 -50.32 71.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.401 HG13 ' HG2' ' A' ' 25' ' ' GLN . 50.0 pt -80.03 -20.02 12.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -172.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.5 mm-40 -100.67 -27.64 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 65.01 31.99 10.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.424 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 98.4 m-70 -129.26 175.26 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -99.04 118.38 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.8 t -126.4 125.66 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 -167.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -104.05 -29.45 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.08 85.3 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.43 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 41.7 p90 -101.03 170.44 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -174.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -71.85 151.43 93.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.598 0.713 . . . . 0.0 110.922 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 36' ' ' ILE . 37.2 Cg_endo -61.59 156.45 47.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.393 176.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 t -63.3 77.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' PRO . 48.4 pt -134.09 162.06 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.29 103.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 175.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -155.04 102.0 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -176.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -90.35 153.44 20.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -126.03 143.22 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.88 142.92 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -140.28 131.29 26.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -78.6 124.43 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.7 t -136.62 146.94 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -98.78 124.13 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 171.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.416 HG12 HG13 ' A' ' 160' ' ' VAL . 77.5 mt -123.97 118.56 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.13 30.29 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.71 -4.38 84.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.505 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.58 123.47 44.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.929 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -74.18 127.54 33.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.231 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 p -145.85 167.7 22.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.913 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -114.86 119.69 37.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.9 mp -94.11 118.83 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -99.37 117.72 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.438 HG12 HD23 ' A' ' 6' ' ' LEU . 82.2 mt -89.02 118.69 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 -177.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 71' ' ' TYR . 40.0 mt -101.74 114.96 29.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -165.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -97.64 154.43 17.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.3 t -76.55 151.66 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -146.46 139.61 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.2 -102.69 1.49 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -75.46 158.33 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 111.002 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.06 -44.93 75.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -100.5 -29.96 12.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -173.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.34 129.52 47.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -175.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.557 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 27.5 t -160.76 138.77 9.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.84 -31.42 72.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 170.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 62.5 tpp -79.96 -44.56 20.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.789 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.557 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 77.6 ttt-85 -91.18 -62.37 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -172.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.76 -49.1 67.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -169.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -54.04 -42.44 69.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.943 -176.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.452 ' HB2' HD13 ' A' ' 56' ' ' LEU . 68.1 m-85 -78.84 -34.84 44.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.866 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 58.5 ttp -56.51 -30.74 63.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -59.83 -28.05 67.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -177.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.6 m -69.88 -42.25 73.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.53 31.69 26.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 170.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.4 -59.5 5.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.646 ' HA3' ' OH ' ' A' ' 4' ' ' TYR . . . -171.67 170.32 43.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 174.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -149.89 148.14 28.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 110.877 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.96 126.7 54.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.7 m -91.06 111.65 23.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -172.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.487 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 92.7 t -117.66 132.31 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -102.87 134.77 45.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -175.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.76 145.51 47.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.7 mt -73.64 -32.0 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -167.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -109.97 -29.9 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -174.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -80.3 99.85 8.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -171.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.9 m -61.27 -36.83 81.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.89 -18.72 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -54.02 -35.97 62.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -56.02 -44.44 78.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -68.07 -44.73 75.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.6 -35.94 82.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.77 -44.22 99.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 137' ' ' TYR . 81.6 t60 -60.0 -47.1 87.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 176.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.84 -44.15 96.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.999 -177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -62.44 -37.79 87.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -62.4 -42.55 99.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 175.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -65.15 -38.13 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -66.52 -45.28 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.407 ' HA ' HG22 ' A' ' 103' ' ' VAL . 93.6 mt -62.45 -39.89 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.071 175.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -56.02 -39.0 71.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -68.78 -52.57 28.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.407 HG22 ' HA ' ' A' ' 100' ' ' ILE . 26.7 m -74.95 -24.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -167.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -72.44 -17.31 61.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -171.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 43.1 44.7 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 172.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.5 p -157.27 -178.85 7.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -71.93 166.05 22.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -84.78 134.7 34.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -174.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.8 t -110.66 130.07 23.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.62 134.58 41.63 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.409 -178.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 26.2 mmt -129.93 154.44 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -176.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.8 t -127.63 132.31 69.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.102 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.2 tp -97.79 122.18 40.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.983 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.34 129.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -119.07 167.67 13.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.442 174.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 144' ' ' THR . 71.7 m-80 -106.5 156.74 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.889 0.376 . . . . 0.0 110.913 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -117.84 -58.2 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.8 m -91.28 4.2 52.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.897 -169.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -86.04 -10.2 55.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -176.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.3 tp -152.97 130.4 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.86 79.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.42 96.94 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 176.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 92.4 mtm180 -100.37 149.94 23.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -175.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.8 t -81.78 -168.67 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 33.6 m -58.52 160.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 -178.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 7.8 tp10 -47.82 147.84 1.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.7 p -64.86 -26.57 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -172.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.402 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.8 mtt180 -63.12 -44.37 95.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 177.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -75.32 -41.11 57.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.78 80.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -61.23 -49.06 78.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.95 -36.15 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.95 -44.97 94.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.4 93.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.87 -34.42 78.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 77.8 p -67.02 -22.43 65.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.603 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 45.8 m-85 -101.14 5.08 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.17 12.28 57.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 165.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.5 mt -129.87 129.98 23.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.71 0.766 . . . . 0.0 111.078 -176.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.78 148.29 76.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -121.7 129.97 53.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -171.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 92.9 mt -123.5 134.93 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -104.44 128.78 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 14.6 t -143.75 -170.35 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.102 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.3 t -134.91 107.6 7.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 169.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.59 -24.88 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -169.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.16 -38.78 20.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -171.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.9 p -109.52 -19.0 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -170.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -136.75 179.09 6.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -177.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -65.16 115.74 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 174.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -129.54 -104.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -173.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.402 ' HB ' HD22 ' A' ' 19' ' ' LEU . 11.6 p -56.21 -29.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.805 0.336 . . . . 0.0 111.15 -176.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.6 -43.35 80.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -67.62 -40.3 84.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.8 96.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -67.32 -45.29 76.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -68.44 -36.92 79.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 59.9 m -62.37 -42.75 99.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 174.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.37 -46.29 83.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 46' ' ' ILE . 55.5 t -59.56 -41.45 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 177.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.27 -38.69 92.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -69.4 -35.73 76.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -65.73 -48.33 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.171 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -69.65 -22.83 63.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -75.82 -59.93 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 178.282 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 ttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 99.5 m -88.59 121.02 30.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -100.1 132.25 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.702 ' OH ' ' HA3' ' A' ' 77' ' ' GLY . 82.2 t80 -127.98 129.91 47.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -95.0 113.6 25.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -108.33 118.01 35.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.96 134.52 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.049 -176.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.79 121.21 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.5 t -135.04 145.89 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.09 -157.27 22.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.531 173.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.86 144.97 43.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 -176.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.04 -178.38 29.09 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.73 -44.42 1.84 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.413 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.13 -58.19 8.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.88 0.371 . . . . 0.0 111.155 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA3' ' HB3' ' A' ' 18' ' ' ALA . . . 164.99 72.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.478 174.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -57.12 -47.88 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.931 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -75.83 -36.66 59.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.469 ' HB3' ' HA3' ' A' ' 15' ' ' GLY . . . -62.92 -41.82 99.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -174.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.23 -36.57 79.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.4 m -61.09 -43.13 99.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 171.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.72 -40.0 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 176.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -62.95 -36.89 84.95 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -64.98 -50.02 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.66 HG13 ' HG2' ' A' ' 25' ' ' GLN . 38.9 pt -87.97 -21.18 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.155 -166.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.66 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.2 mm-40 -114.06 -17.58 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.0 m-20 70.15 20.12 6.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 -175.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -137.39 141.9 41.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -98.94 121.07 40.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.53 124.95 69.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.08 -174.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.97 -38.21 76.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -90.02 79.93 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -94.79 168.14 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -172.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -70.66 146.39 93.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -170.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.93 157.07 63.41 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -64.28 76.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 pt -124.94 159.46 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.163 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.1 99.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -159.63 100.25 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -176.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.1 p -81.76 152.42 27.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -125.1 145.0 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -122.56 140.32 52.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -175.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -146.68 124.25 11.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 173.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -78.21 124.13 27.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.504 HG23 ' SG ' ' A' ' 51' ' ' CYS . 27.2 m -136.81 163.31 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.1 t -116.19 129.55 72.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.8 mt -123.53 119.51 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t0 55.72 35.12 24.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -177.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.2 -0.04 88.18 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -102.16 130.41 48.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.941 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.0 m -71.93 127.13 31.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.504 ' SG ' HG23 ' A' ' 44' ' ' VAL . 26.8 p -147.04 165.1 30.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.8 tp -113.06 126.95 56.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.1 tp -91.99 111.09 22.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -105.0 108.95 20.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.8 mt -96.29 124.9 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.5 mt -116.17 111.92 20.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -170.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -94.01 161.72 14.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -72.82 150.02 43.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.12 128.88 48.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.02 -106.31 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -85.04 159.13 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.656 0.265 . . . . 0.0 110.991 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.11 -49.07 71.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -172.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -98.1 -38.9 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -174.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -96.68 110.3 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.926 -174.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.779 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 40.1 t -156.29 139.96 16.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -175.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.33 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 169.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ttt -77.09 -51.17 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.779 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 78.0 ttt-85 -63.58 -50.01 71.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -173.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -72.05 -35.01 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -170.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -64.96 -48.3 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -74.67 -32.08 62.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.957 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.9 mtp -64.57 -34.77 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 170.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -65.07 -32.73 74.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.9 m -67.98 -47.17 69.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.79 24.72 61.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 165.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -54.43 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.702 ' HA3' ' OH ' ' A' ' 4' ' ' TYR . . . -174.07 161.7 32.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 174.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -149.95 146.82 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.891 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.1 tp -107.06 127.65 53.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 113' ' ' LEU . 73.5 m -92.2 130.91 37.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -171.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.84 130.45 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 113' ' ' LEU . 53.9 t80 -111.5 136.87 50.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.04 149.37 39.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.053 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' A' ' 120' ' ' LEU . 95.7 mt -69.3 -36.9 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -168.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.05 -29.96 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -80.75 100.03 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -171.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.4 m -61.24 -36.79 80.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.49 -20.59 64.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -174.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 m -55.98 -32.24 63.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -55.09 -44.26 74.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.75 -43.02 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.32 -38.53 91.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.5 mt -66.07 -40.51 87.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 177.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -58.38 -44.19 88.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.795 174.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.18 -41.47 98.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -58.28 -42.64 87.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 176.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -63.61 -43.81 95.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.85 -37.52 87.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -67.53 -47.13 70.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.424 ' HA ' HG22 ' A' ' 103' ' ' VAL . 93.5 mt -59.97 -40.88 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 175.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 88.6 tttt -56.65 -39.23 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -176.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -70.75 -51.17 28.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 100' ' ' ILE . 32.5 m -74.93 -24.26 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -167.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.402 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 58.2 pttt -73.0 -17.33 61.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -172.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 42.57 44.54 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 173.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.1 p -155.43 -177.33 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 47.8 p30 -79.96 -176.43 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.897 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -65.64 139.95 58.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -174.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.41 156.51 48.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -65.9 126.42 15.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.617 2.212 . . . . 0.0 112.372 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 66.5 mtm -135.03 135.02 41.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.64 137.13 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 172.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.488 ' HB2' HD12 ' A' ' 139' ' ' ILE . 59.3 tp -103.77 127.1 51.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.5 p -118.49 134.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.36 157.0 27.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.53 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 144' ' ' THR . 70.8 m-80 -106.1 157.78 17.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 -176.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -130.06 -51.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.4 m -86.83 6.26 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -170.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -86.46 -15.17 41.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.426 ' HB3' HG21 ' A' ' 84' ' ' ILE . 58.3 tp -153.53 130.52 11.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -177.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.42 77.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.91 104.34 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 172.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -118.13 159.79 22.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -170.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.3 t -80.16 -169.76 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.11 163.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -43.85 148.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -175.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.9 m -60.08 -38.72 83.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 -172.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.45 -42.81 98.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -70.85 -42.13 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.9 94.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.401 ' HB3' HE21 ' A' ' 131' ' ' GLN . 5.5 tt0 -63.69 -45.4 90.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.986 176.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.82 -36.03 78.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.18 -45.02 95.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.97 -44.29 89.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -66.23 -37.71 86.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -175.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.0 p -68.11 -23.48 64.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -93.89 -2.14 53.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.24 13.07 27.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 163.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 113' ' ' LEU . 22.9 pt -136.73 142.91 40.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 111.084 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.85 144.2 21.53 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.402 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -111.89 129.1 56.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.913 -173.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 87.2 mt -119.96 129.91 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.83 127.23 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 68.6 p -132.43 172.44 12.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.139 -174.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -130.94 99.88 5.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 165.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.42 -29.54 68.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -169.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -80.13 -31.81 39.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -169.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 60.7 p -105.87 -25.42 12.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -140.05 177.32 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -80.69 115.7 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 171.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.96 -75.05 0.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -172.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.67 -29.52 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.55 -47.37 82.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -67.72 -39.02 84.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.928 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.98 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.196 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -64.74 -40.48 95.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -60.2 -37.65 80.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 89.8 m -63.58 -41.47 98.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 170.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.17 -38.6 89.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 176.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.3 t -59.33 -45.0 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.88 -38.46 90.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -69.26 -37.5 77.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.51 -44.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.042 175.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -65.75 -32.76 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -62.13 -52.43 63.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 178.669 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -106.71 122.6 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.45 140.2 52.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -119.38 132.61 55.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -100.89 101.18 11.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 6' ' ' LEU . 7.3 tt -116.1 120.28 38.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -169.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -102.37 124.96 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.06 135.64 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.64 151.61 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 173.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.65 171.75 27.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -170.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.13 160.74 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -172.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.88 152.14 26.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.553 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.87 -16.77 80.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -101.22 16.73 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 111.159 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.86 -135.8 8.17 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.534 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -56.69 -28.56 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.6 t -63.29 -53.45 52.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.98 78.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.164 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.99 -41.28 99.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -69.11 -45.1 71.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.59 -43.79 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 -172.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -67.9 -28.7 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -73.67 -45.0 55.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.464 HG13 ' HG2' ' A' ' 25' ' ' GLN . 42.4 pt -78.47 -19.78 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -175.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 99.3 mm-40 -105.57 -22.52 12.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.99 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.8 m-20 68.16 14.91 9.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -175.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -139.93 150.77 44.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -83.06 120.33 25.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.3 t -112.45 124.64 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -174.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -83.07 -34.58 26.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -89.76 80.65 6.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -79.74 179.11 7.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -173.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.475 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 2.8 p30 -63.78 158.59 59.87 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.636 0.731 . . . . 0.0 110.865 -172.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 36.4 Cg_endo -64.41 164.43 23.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 0.0 112.307 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.9 p -70.08 -5.21 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -176.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.7 mt -75.37 129.4 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 172.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -40.39 133.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -154.66 104.95 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.822 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.8 m -99.71 161.38 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -130.42 152.61 49.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -168.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.87 143.18 49.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 168.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -148.39 130.19 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -79.05 126.79 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.966 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.02 156.92 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -172.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.5 t -107.33 118.15 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -130.59 124.16 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 60.72 27.02 16.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -173.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.68 -0.03 89.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -104.25 128.71 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.858 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.3 m -86.95 127.49 35.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -149.98 170.37 19.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.2 tp -99.18 120.22 39.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.5 tp -105.44 118.95 37.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -97.41 113.05 24.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mm -100.22 114.96 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 -175.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.08 113.65 25.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -176.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -116.96 139.49 50.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.6 m -106.65 135.7 47.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.83 130.56 13.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 174.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.49 -25.44 24.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -107.31 146.05 32.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.972 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.5 -52.73 10.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -129.95 -30.32 2.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -68.9 128.17 35.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -169.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.5 t -155.85 123.28 5.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 165.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.49 85.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.8 mtp -80.4 -48.31 13.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -65.34 -41.45 93.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -170.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -63.08 -37.46 87.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -64.31 -43.3 95.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -65.62 -33.6 76.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.9 mmm -64.78 -36.52 84.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.75 -29.98 70.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.8 p -85.96 -30.94 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.467 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 70.89 28.91 69.85 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.431 171.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -60.5 -60.15 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 110.873 -173.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 151.88 23.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -146.16 126.5 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -170.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.424 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 87.1 mt -111.21 131.88 54.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 170.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.5 t -109.76 114.5 28.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.2 t -103.33 131.6 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -136.92 164.09 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -99.52 134.81 41.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 177.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.93 -30.16 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -87.85 -14.4 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.451 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 41.9 t-20 -90.72 114.8 27.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.9 m -65.9 -44.48 85.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.0 -28.05 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.3 t -59.8 -36.25 76.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -65.34 -38.4 90.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 176.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.58 -35.38 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.24 -44.93 90.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.5 pt -71.02 -26.41 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 -177.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.52 -46.81 86.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.811 171.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -66.1 -43.01 88.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 175.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -59.47 -40.99 88.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.1 tpt85 -53.77 -44.27 69.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.09 -36.88 64.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.535 ' O ' HG23 ' A' ' 103' ' ' VAL . 27.9 tt0 -67.97 -52.69 33.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -173.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.8 pt -64.64 -27.42 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.21 -174.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.22 -43.77 92.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.06 -35.66 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.876 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 99' ' ' GLN . 64.5 t -63.11 -38.92 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -173.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -74.56 -13.4 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.811 -173.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 45.39 43.96 8.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.0 t -156.16 -170.98 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -176.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -77.24 -179.12 5.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -66.92 116.27 7.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -177.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.467 HG11 ' HA3' ' A' ' 75' ' ' GLY . 33.7 m -107.59 159.86 28.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.608 0.718 . . . . 0.0 111.151 -178.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -54.98 124.01 15.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.277 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 65.9 mtt -133.38 150.69 51.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 79' ' ' LEU . 84.3 t -132.79 136.16 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.197 173.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.5 tp -101.02 121.94 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.95 127.87 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 -169.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.65 138.97 14.16 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.507 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -98.44 169.96 9.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.379 . . . . 0.0 110.884 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 54.78 41.39 31.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 173.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.0 m -75.19 -7.0 52.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -94.66 2.12 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 173.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.9 tp -74.34 125.76 29.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.67 84.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -85.65 56.52 4.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 -101.49 90.65 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 174.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 42.4 p -82.5 57.78 3.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 90.5 t -139.46 128.23 28.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.252 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.67 125.44 26.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.0 p -62.91 -29.51 70.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.73 -38.07 89.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.838 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -69.61 -43.46 72.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.045 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -68.29 -48.18 65.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.93 -33.9 76.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.48 -44.07 92.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -62.15 -39.84 93.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 172.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.65 -32.23 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.886 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.0 p -67.54 -20.64 65.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -99.36 -0.92 40.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.2 24.8 70.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.558 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.424 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 92.9 mt -124.73 131.35 24.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.697 . . . . 0.0 111.193 -172.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -65.83 151.01 85.44 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -112.23 127.44 55.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -172.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 39.7 mm -122.39 138.08 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -101.17 127.56 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.492 ' CB ' ' HA3' ' A' ' 151' ' ' GLY . 6.8 t -137.13 174.5 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.487 ' HB3' ' H ' ' A' ' 149' ' ' ARG . 14.0 t -145.15 129.8 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 170.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.54 -19.39 64.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 170.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -92.84 -61.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -168.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 72.7 p -133.41 -44.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.22 -166.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.487 ' H ' ' HB3' ' A' ' 145' ' ' SER . 72.2 ttt180 -90.16 133.06 35.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -169.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -84.99 126.87 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.492 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -137.64 -51.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 59.9 t -52.3 -36.53 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.32 . . . . 0.0 111.095 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.35 -42.84 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -68.1 -35.51 78.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -59.01 -45.64 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 173.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -65.16 -45.42 85.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.5 m -68.42 -47.26 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 68.5 tp -63.13 -49.48 74.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.02 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 52.8 t -64.47 -39.26 84.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -57.49 -43.74 84.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 173.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.04 -33.44 73.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.9 -44.54 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 55.4 tpt85 -74.28 -30.02 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -79.96 -60.02 2.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.979 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.74 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.5 m -98.9 117.46 33.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -128.38 138.3 52.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -119.96 123.48 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 175.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -95.73 100.29 12.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -111.82 128.49 56.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.956 -167.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -95.23 121.01 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -172.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -109.02 134.44 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.102 -175.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.4 t -128.0 141.97 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.16 166.71 36.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.65 149.75 49.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.193 -172.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.03 -179.74 41.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.04 1.42 84.86 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.87 3.93 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.932 0.396 . . . . 0.0 111.067 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.22 -139.56 10.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.3 -18.26 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.967 -178.506 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.8 m -58.14 -49.37 77.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.41 -41.21 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 63.2 mt -64.88 -42.78 94.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -171.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -67.29 -44.71 78.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.1 mt -69.0 -41.17 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.045 -174.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.6 pp0? -67.93 -27.23 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -171.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.9 tp -72.55 -47.93 44.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.977 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.509 HG13 ' HG2' ' A' ' 25' ' ' GLN . 45.2 pt -78.36 -19.52 13.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.072 -173.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.509 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.4 mm-40 -106.78 -24.28 12.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.9 m-20 68.98 17.66 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -174.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -138.26 150.13 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -83.87 117.17 23.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -177.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.4 t -123.38 126.82 73.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 -173.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -92.67 -18.82 22.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -88.6 87.84 7.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.79 146.31 54.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.545 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 39.2 p30 -64.27 171.38 2.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.482 0.658 . . . . 0.0 110.889 -175.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 83.1 Cg_exo -52.32 155.6 9.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.616 2.211 . . . . 0.0 112.325 -176.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.7 p -74.32 -4.17 34.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -170.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.08 128.01 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 172.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -49.92 109.96 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -139.84 101.65 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.1 m -99.61 161.74 13.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -132.61 158.22 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 -171.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 54' ' ' ASP . 98.8 mtt180 -117.85 147.31 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -145.34 130.04 18.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -92.83 126.62 38.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -141.12 164.89 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.18 119.31 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.5 mt -129.8 129.47 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t0 65.06 24.81 12.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.96 -3.49 85.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.432 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.36 128.27 55.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.43 . . . . 0.0 110.913 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -72.21 127.32 32.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.2 p -144.71 162.72 36.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -106.23 122.02 45.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.6 mt -99.2 120.99 40.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.426 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 58.5 t0 -93.04 110.94 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 174.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.3 108.78 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -169.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.8 mt -97.77 106.56 18.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -172.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -99.84 154.3 18.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 m -99.07 132.75 44.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 172.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.47 143.44 31.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.091 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.66 -43.06 1.75 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -140.04 145.76 38.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.731 0.301 . . . . 0.0 110.902 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.86 -41.36 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -91.57 -33.44 15.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.829 -171.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -108.87 137.25 47.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.4 t -138.29 131.83 30.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 172.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.76 -42.05 86.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 63.7 mtt -84.88 -51.94 6.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -177.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -66.33 -44.68 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -167.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.87 -38.16 90.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 -175.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -70.84 -52.54 19.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -73.47 -29.86 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -171.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.5 tpt -53.17 -31.43 42.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 104' ' ' LYS . 98.5 mtt180 -69.29 -23.92 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.9 m -71.53 -44.02 65.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 171.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.69 31.42 36.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.505 164.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.61 -44.44 82.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.74 158.21 28.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.43 175.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 111' ' ' MET . 74.1 t80 -137.95 129.46 27.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.941 0.401 . . . . 0.0 110.877 -174.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.1 tp -110.23 120.3 42.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.7 116.53 32.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -107.85 130.81 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.061 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -132.44 170.81 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -101.04 128.85 46.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.402 HG22 ' HA ' ' A' ' 123' ' ' ARG . 91.1 mt -75.77 -27.02 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 -175.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.495 ' HB3' HD23 ' A' ' 120' ' ' LEU . 17.0 p-10 -88.06 -21.27 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.572 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 7.3 t-20 -97.22 96.99 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 173.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.6 m -54.02 -37.77 64.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.46 -19.36 65.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -174.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.6 p -60.61 -24.81 65.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -173.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -64.02 -38.98 93.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 174.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.13 -36.7 83.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.62 -47.86 79.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.3 pt -71.19 -26.88 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -64.37 -53.23 51.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.857 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -67.78 -33.83 75.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -60.58 -50.08 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.46 -43.67 89.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.829 -176.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.21 -36.7 84.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -175.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 103' ' ' VAL . 17.6 tt0 -69.17 -46.16 68.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.97 172.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.81 -36.97 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 97.0 mttt -59.42 -39.3 83.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.31 -35.45 66.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.816 175.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 99' ' ' GLN . 67.7 t -67.45 -40.33 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -177.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 106' ' ' SER . 58.7 pttt -75.72 -24.81 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -170.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 45.27 42.65 7.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.448 ' H ' ' HG3' ' A' ' 104' ' ' LYS . 71.6 m -134.79 175.78 9.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -174.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -74.87 -179.88 4.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -66.06 117.21 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -172.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 85.7 t -88.24 132.53 39.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 111.104 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -62.26 126.76 19.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 25.2 ptp -137.92 159.05 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -170.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.4 p -131.04 137.53 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.144 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.0 tp -98.48 117.44 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 81.8 t -128.37 131.55 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.48 146.28 16.05 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -100.05 169.0 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 174.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 64.99 39.79 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.1 t -67.04 -31.85 72.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 170.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -82.5 0.53 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -175.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 85' ' ' ASN . 60.7 tp -92.74 130.2 38.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 175.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.45 -30.76 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.05 77.05 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.402 ' HA ' HG22 ' A' ' 84' ' ' ILE . 99.8 mtt180 -90.15 79.98 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 173.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 52.6 p -85.05 64.88 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.2 t -136.27 131.09 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -76.91 110.92 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 92.9 p -62.87 -30.05 71.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -173.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.56 -39.5 94.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.819 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -73.92 -49.8 23.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' A' ' 141' ' ' TYR . . . -60.47 -43.52 96.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -67.62 -49.33 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.14 -33.56 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -176.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.62 -43.27 99.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -69.05 -34.62 75.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -66.05 -33.49 75.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.9 p -64.92 -24.69 67.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.753 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.95 4.21 31.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.63 39.42 67.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 175.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.522 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 6.0 tp -138.45 133.68 17.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.554 0.692 . . . . 0.0 111.199 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.52 145.63 46.25 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.434 ' CE1' ' HB1' ' A' ' 130' ' ' ALA . 48.5 t80 -91.93 126.42 37.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.95 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 84.9 mt -122.68 131.04 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -169.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -112.78 132.71 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 170.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 55.7 p -132.24 170.07 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -171.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -134.68 111.77 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 171.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.417 ' HB2' HD23 ' A' ' 19' ' ' LEU . . . -58.76 -25.16 62.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.8 -51.94 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -172.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.8 p -111.7 -24.5 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 -165.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -111.23 170.27 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -172.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.75 115.98 26.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.941 167.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.95 -74.97 0.98 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.553 -171.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 68.8 t -56.65 -44.47 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 111.11 -172.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.44 -48.23 82.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -69.14 -37.19 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.2 -45.82 83.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -69.98 -30.1 67.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -56.7 -47.9 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 173.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 87.9 m -66.54 -45.54 79.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 177.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.12 -52.3 63.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.006 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.1 -43.03 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -175.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.23 -40.44 94.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.4 -38.37 90.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.98 -39.96 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.197 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -67.98 -34.96 77.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.824 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -87.43 -49.99 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.777 -176.858 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.4 m -132.58 138.63 47.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -178.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -92.87 128.27 38.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -118.8 128.82 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.41 107.35 19.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 tp -103.66 125.27 50.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 71' ' ' TYR . 98.7 t -112.17 121.25 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.149 171.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.0 126.03 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.12 163.28 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.95 -176.96 30.87 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 -176.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.7 123.34 12.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 111.102 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.3 141.7 30.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.591 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.64 15.52 56.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -95.31 -73.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.71 55.0 0.16 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -64.27 -30.02 71.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.5 m -65.2 -41.92 94.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.05 -36.64 85.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.06 -37.4 87.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 176.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.0 m -65.25 -44.81 86.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.79 -39.05 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.519 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 7.5 tt0 -57.97 -33.77 69.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.65 -54.47 6.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 177.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.65 HG23 ' HG2' ' A' ' 25' ' ' GLN . 9.7 tp -81.67 -33.37 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -165.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.65 ' HG2' HG23 ' A' ' 24' ' ' ILE . 99.0 mm-40 -107.32 -31.28 8.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 16.6 m120 77.62 26.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -126.53 164.71 20.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -114.95 104.84 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 177.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 p -148.32 144.23 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 -176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -79.33 75.0 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -124.98 75.03 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -72.72 142.32 48.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -170.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -93.77 154.15 40.98 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.546 0.688 . . . . 0.0 110.955 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.5 157.68 53.75 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.394 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.9 p -70.78 -7.34 44.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.776 -176.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -56.13 130.29 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -53.2 110.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -147.53 96.26 2.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.9 p -86.29 159.99 19.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -126.83 152.1 47.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -127.95 136.3 51.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -134.53 131.33 37.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -175.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -79.07 123.4 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.01 164.62 33.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.22 -173.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.09 124.99 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -124.12 120.73 60.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 56.97 29.96 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.01 0.22 89.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -106.31 130.06 54.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.023 0.439 . . . . 0.0 110.886 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -81.29 125.0 29.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.206 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.4 p -140.37 176.63 8.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 tp -104.81 126.63 52.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -176.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.7 tp -101.06 112.84 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 174.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -91.71 119.24 31.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.7 mt -101.61 114.94 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -168.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HB3' ' HG2' ' A' ' 68' ' ' ARG . 73.8 mt -118.89 121.78 40.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 175.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -110.01 110.73 21.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m -97.72 132.59 43.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.12 130.91 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.39 -42.44 2.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 175.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -110.0 144.94 37.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.898 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -84.9 -46.49 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -131.73 -4.84 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -168.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -97.22 73.38 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -167.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 t -159.53 116.93 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.814 167.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.12 70.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.9 tpp -79.9 -46.41 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HG2' ' HB3' ' A' ' 56' ' ' LEU . 72.5 mtt85 -99.0 -56.34 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.906 -168.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.03 -14.61 60.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -168.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -49.27 -25.04 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.916 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.469 ' HB3' HG21 ' A' ' 7' ' ' VAL . 14.6 p90 -48.18 -32.59 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -175.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.9 mtm -59.9 -33.62 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -66.93 -34.79 78.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.1 p -90.23 -30.37 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 -173.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.47 18.94 78.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.82 -49.98 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.7 161.72 10.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -155.03 151.7 28.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.3 tp -111.02 124.46 52.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.1 t -97.99 124.89 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -109.99 135.03 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 -174.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -109.74 135.49 50.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.566 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -87.96 122.41 31.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 176.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' A' ' 116' ' ' ASN . 6.5 tp -67.34 -26.49 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 -169.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -103.22 -16.68 15.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -173.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.566 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 41.7 t-20 -88.13 115.32 25.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.9 m -67.54 -42.4 82.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.85 -21.0 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -175.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.4 t -51.84 -35.63 45.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -58.66 -45.4 89.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.77 -42.97 69.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -64.68 -39.09 93.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.767 -177.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.8 mt -66.64 -42.23 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -57.48 -47.25 82.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -65.16 -47.57 76.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -177.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -65.3 -41.16 94.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -64.79 -40.1 94.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.44 -43.45 98.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -68.85 -47.57 65.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.51 -41.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 175.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.04 -44.3 96.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -178.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.86 -40.02 87.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.0 t -69.95 -40.27 78.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.1 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -97.52 11.15 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -45.72 -37.53 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.6 m -118.75 74.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 172.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -167.51 157.32 10.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -107.4 82.67 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.8 t -118.18 124.09 28.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.132 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.41 ' HG3' ' HA ' ' A' ' 163' ' ' ILE . 66.3 Cg_endo -73.84 136.4 22.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.656 2.238 . . . . 0.0 112.391 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.8 ttt -144.78 140.0 28.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.8 t -132.25 137.45 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.198 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 134' ' ' ALA . 62.6 tp -103.99 121.66 43.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 175.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.04 134.19 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.91 143.46 16.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.54 177.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.459 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 52.3 p30 -93.63 164.29 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -177.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.474 ' H ' ' H ' ' A' ' 146' ' ' ALA . 56.7 mtpt 38.42 49.94 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.484 ' SG ' ' HG3' ' A' ' 143' ' ' GLU . 85.5 m -74.98 -6.9 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -177.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -97.57 5.03 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 176.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 tp -74.62 120.27 19.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.811 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.5 87.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.06 94.32 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -146.68 166.42 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.3 t -84.99 -165.59 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 70.8 t -40.88 141.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -175.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 7.5 tp10 -50.91 153.4 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -163.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.2 p -64.0 -20.86 66.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.434 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.7 mtt180 -60.6 -29.98 69.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -63.44 -42.38 98.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.21 86.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -65.03 -47.11 78.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.14 -37.32 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.73 -41.3 92.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.453 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -58.54 -38.22 77.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 175.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.39 -39.85 94.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.6 p -73.29 -22.03 60.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -89.81 -3.7 58.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.76 24.81 71.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 48.7 pt -134.7 156.7 78.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 111.109 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.54 153.04 60.39 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.622 2.214 . . . . 0.0 112.296 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -117.44 130.93 56.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 144' ' ' THR . 40.9 mm -114.23 132.83 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 176.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.484 ' HG3' ' SG ' ' A' ' 118' ' ' CYS . 80.1 tt0 -118.56 109.98 16.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -175.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.431 HG23 HG22 ' A' ' 142' ' ' ILE . 71.7 p -137.92 179.48 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -175.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.5 t -127.03 108.85 11.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.474 ' H ' ' H ' ' A' ' 117' ' ' LYS . . . -65.14 -28.73 69.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 -176.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -75.78 -41.35 53.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -173.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 78.8 p -106.96 -21.14 13.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 -168.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -139.39 176.14 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -175.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -87.58 115.09 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 171.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.95 -63.55 0.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.91 -38.57 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -55.44 -46.04 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.8 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.28 -37.93 81.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.832 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.18 86.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -63.15 -41.58 99.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -60.05 -39.62 86.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.1 m -65.09 -43.01 93.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.209 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.56 -41.46 90.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 163' ' ' ILE . 49.4 t -63.75 -39.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.71 -35.86 77.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 173.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -71.45 -34.8 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 174.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 160' ' ' VAL . 85.9 mt -64.18 -40.12 87.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.114 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.5 -25.08 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -78.8 -59.9 2.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.048 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.7 m -119.33 135.41 54.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -97.56 130.97 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -113.42 133.14 55.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -100.09 102.15 13.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 tt -112.88 120.49 41.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -172.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.1 t -102.1 132.75 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 -175.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -93.19 125.32 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.7 m -133.04 164.71 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 -177.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.54 179.61 19.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.94 144.94 34.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.95 177.39 52.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.544 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.07 -26.44 6.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.4 t -95.0 -78.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.05 70.47 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 172.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -60.65 -45.81 92.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -66.8 -39.64 87.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 32' ' ' TYR . . . -61.1 -37.37 82.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.75 -43.99 91.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.7 p -72.38 -34.39 67.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -70.94 -43.58 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.059 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -77.18 -34.47 56.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -175.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.43 -42.2 92.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -174.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 tp -66.73 -20.0 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 58.6 mt-30 -100.58 -9.18 22.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.1 m-20 65.04 35.81 7.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -176.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -134.93 -171.34 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.809 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -112.02 130.0 56.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.26 114.25 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 174.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -75.03 -65.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -85.1 105.59 15.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.525 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 53.2 p90 -66.76 158.37 30.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -178.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -73.34 149.37 89.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.56 0.695 . . . . 0.0 110.869 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.46 ' O ' ' HB3' ' A' ' 35' ' ' SER . 37.7 Cg_endo -65.03 160.76 40.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.593 2.195 . . . . 0.0 112.35 176.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 34' ' ' PRO . 8.3 t 75.01 168.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -173.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.438 ' HB ' ' HB3' ' A' ' 59' ' ' ALA . 44.2 pt -109.18 173.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -167.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.478 ' OE1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER 53.52 72.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 178.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -110.07 45.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -107.53 164.88 11.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.05 167.78 20.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -170.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -115.01 135.98 53.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 169.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -140.13 138.26 35.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -175.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -78.61 124.95 28.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.53 160.02 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -173.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.06 118.38 48.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 174.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.8 mt -128.41 124.99 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 59.61 27.61 16.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -173.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.11 0.49 89.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -110.0 134.93 51.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -83.01 125.04 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -148.27 175.08 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.76 128.68 52.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.8 tp -110.73 109.82 20.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -106.09 112.65 25.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.5 mm -97.18 130.04 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -173.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 56' ' ' LEU . 3.4 mm? -104.77 112.17 25.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 177.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -97.18 123.45 40.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 172.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 t -105.54 150.07 25.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 175.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 36' ' ' ILE . . . -165.51 146.91 7.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 -178.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.44 -38.17 3.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.429 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -115.01 171.12 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.902 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.21 -52.31 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -145.55 -15.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 169.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -58.37 114.49 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -176.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.6 m -139.03 140.31 38.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -175.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.91 -59.49 2.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.7 mtp -81.29 -43.76 18.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.48 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -68.48 -38.46 81.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -165.041 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.8 -35.13 75.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -61.13 -45.08 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -69.61 -34.95 74.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.8 mmm -66.39 -35.03 79.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' HA ' ' HD3' ' A' ' 104' ' ' LYS . 99.6 mtt180 -67.8 -32.07 72.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 176.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.5 m -72.77 -40.06 66.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 174.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 82.11 21.47 60.86 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.439 178.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.86 -51.29 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.918 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.98 145.32 4.36 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.444 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -155.03 150.0 26.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.961 0.41 . . . . 0.0 110.849 -175.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.442 HD23 ' C ' ' A' ' 79' ' ' LEU . 9.1 tt -102.21 119.88 39.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.23 122.83 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.26 125.25 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.443 ' HB2' HD11 ' A' ' 113' ' ' LEU . 44.6 t80 -122.76 132.81 54.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.848 -177.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.14 135.74 33.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 173.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.8 mm -77.54 -34.82 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -167.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -90.07 -18.0 26.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -177.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -90.59 102.59 15.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.1 m -59.8 -38.65 82.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.39 -25.03 67.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -177.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.7 t -59.88 -42.42 93.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -65.92 -42.96 89.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.68 -41.58 99.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.0 -38.74 92.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.98 -42.56 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 178.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -58.22 -45.18 88.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -62.22 -47.58 83.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -61.87 -46.48 89.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -178.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -62.54 -53.47 54.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -67.84 -39.71 83.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.53 -52.34 40.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -176.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.24 -42.09 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.14 -43.29 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.61 -36.27 76.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.76 -42.93 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' A' ' 73' ' ' ARG . 62.6 pttt -89.1 -3.6 58.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 51.86 46.68 26.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 173.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.7 m -129.72 169.97 14.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -174.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -82.77 -174.95 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -178.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -67.3 140.0 57.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.426 HG11 ' HA3' ' A' ' 75' ' ' GLY . 35.3 m -121.5 161.83 39.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.657 0.741 . . . . 0.0 111.137 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -49.17 124.39 11.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.1 ttt -150.32 140.11 21.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -176.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.58 133.38 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 82' ' ' PHE . 35.2 tp -97.78 124.45 42.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.3 t -117.93 123.33 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.74 155.08 16.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -100.05 175.48 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 62.73 65.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 173.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.3 p -70.02 -15.99 63.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -86.29 -9.96 55.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.789 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.533 HD22 ' HD3' ' A' ' 123' ' ' ARG . 80.9 mt 55.01 41.48 31.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 175.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.8 -60.92 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -177.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -96.12 65.18 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.6 ' O ' ' NE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -169.24 159.88 9.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.449 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.2 p -123.87 32.27 5.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.88 130.03 75.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.045 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -80.15 154.45 28.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -175.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.5 m -61.3 -38.24 86.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.2 -37.19 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -69.04 -43.88 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.02 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.04 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.062 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -65.52 -45.53 83.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -64.45 -30.74 71.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 133' ' ' LEU . 0.1 OUTLIER -64.31 -40.04 95.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 174.026 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.45 84.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 171.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -63.32 -33.01 74.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.2 m -63.77 -27.22 69.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 176.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.506 ' HB2' HG12 ' A' ' 139' ' ' ILE . 18.1 m-30 -91.06 -9.0 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 178.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.89 28.99 61.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.506 HG12 ' HB2' ' A' ' 137' ' ' TYR . 36.2 pt -132.01 158.75 74.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.749 0.785 . . . . 0.0 111.005 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.3 Cg_endo -73.04 154.85 52.8 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 178.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -119.62 128.69 54.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -121.36 124.74 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.067 173.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -107.57 126.73 52.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -146.59 177.28 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.6 t -111.68 122.6 48.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.82 -28.88 62.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -95.05 -55.73 2.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 58.0 p -97.63 -10.57 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -159.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -136.02 154.32 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -101.63 103.18 13.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 171.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.95 -22.84 3.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 177.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.87 -44.0 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 111.103 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.62 -43.4 93.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.0 -39.07 92.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.99 89.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -59.86 -45.56 92.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 175.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -65.63 -36.78 84.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 82.2 m -63.52 -42.74 98.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.18 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.32 -39.74 94.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.73 -40.02 87.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.1 -40.08 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -65.05 -34.7 79.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.7 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 171.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -64.96 -27.55 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -85.88 -48.01 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 79.2 m80 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -177.203 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.0 m -97.78 116.04 29.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -129.29 136.51 50.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -117.34 120.97 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -103.07 104.73 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -172.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.3 mt -115.62 131.62 56.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 86.5 t -96.53 135.14 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -175.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.52 122.31 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.94 164.88 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 170.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.41 -160.64 30.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 89' ' ' SER . . . -57.74 133.3 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 111.093 -177.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.84 98.22 2.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.14 -14.62 5.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.3 t -66.27 -67.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 111.123 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.95 67.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.527 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -66.42 -34.88 78.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.918 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 t -68.79 -42.16 77.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.79 89.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 92.7 mt -67.64 -32.57 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.938 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -69.9 -38.77 76.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.94 -43.53 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.2 pp0? -68.48 -22.33 64.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -174.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.07 -46.6 73.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.592 HG13 ' HG2' ' A' ' 25' ' ' GLN . 50.6 pt -86.28 -20.81 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.592 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.1 mm-40 -106.83 -20.8 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -177.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.2 m-20 64.89 35.09 8.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -174.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -156.9 139.82 15.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -89.67 126.85 35.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.23 165.74 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -96.69 -28.96 14.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.11 136.97 58.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -109.44 149.39 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -83.48 140.98 41.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.69 0.757 . . . . 0.0 110.825 -178.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -68.06 161.64 43.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 173.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 m -50.56 -36.02 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -74.41 125.09 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 57.01 52.42 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.53 ' OD2' ' HB2' ' A' ' 59' ' ' ALA . 24.5 p-10 -90.02 -47.43 7.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.3 m -77.24 147.39 36.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -133.62 155.06 50.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -119.4 143.76 47.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -142.52 129.8 21.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -79.42 122.18 26.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.92 160.04 23.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.62 116.74 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 172.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.7 mt -129.39 130.02 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t0 66.84 21.61 10.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.35 -4.94 82.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -109.59 129.9 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 110.954 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.8 m -70.44 129.27 38.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -151.8 173.95 14.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.0 tp -103.82 123.34 46.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.012 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.4 tp -101.83 116.3 32.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -101.95 115.83 31.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -103.06 114.98 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 56' ' ' LEU . 3.0 mm? -94.96 114.95 26.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -171.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -97.42 142.85 28.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 68' ' ' ARG . 71.4 p -76.18 151.66 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.53 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . . . -140.07 143.0 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -173.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.89 -113.91 4.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -97.16 161.03 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.31 . . . . 0.0 110.908 -177.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -70.52 -43.32 69.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.18 -18.88 26.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -175.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -122.4 83.31 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -153.45 120.25 5.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.28 -31.04 71.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 38.3 mmt -65.06 -35.07 79.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -175.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HB2' HG22 ' A' ' 58' ' ' THR . 69.4 ttp85 -89.76 -48.94 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 173.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.09 -45.79 83.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -166.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -71.84 -49.0 42.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -75.74 -38.64 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.019 -169.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.4 tpp -64.75 -32.9 74.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.851 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -63.46 -32.66 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.7 m -70.47 -40.98 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.89 25.88 61.51 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 173.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.48 -36.52 81.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.6 156.21 8.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 173.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -155.63 150.01 25.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.2 tp -109.24 134.28 51.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.7 m -103.57 115.55 30.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.6 m -117.62 142.07 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -144.34 165.66 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.22 130.3 37.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.454 HG22 ' HB2' ' A' ' 117' ' ' LYS . 9.0 tp -73.7 -20.32 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -175.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -93.74 -14.26 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -93.92 117.27 29.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -65.85 -39.99 91.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.01 -20.19 60.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -171.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 91.6 p -61.67 -26.55 68.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -173.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -62.77 -38.28 89.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.32 -39.48 92.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -59.33 -46.87 87.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.9 mt -69.63 -37.63 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -56.09 -40.26 73.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -65.61 -45.55 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -59.29 -49.03 79.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -45.56 74.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -173.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.8 -38.85 80.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -68.97 -48.04 64.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.42 -37.53 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -52.47 -42.6 64.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.9 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.93 -35.85 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -97.15 14.75 24.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -170.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -46.69 -34.84 5.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.1 m -128.41 75.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 171.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -165.06 155.96 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -110.53 100.2 9.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.88 128.2 17.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 111.133 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.99 140.09 19.88 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.744 2.296 . . . . 0.0 112.317 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.9 mtt -133.17 143.1 48.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.2 t -138.87 135.63 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 173.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 134' ' ' ALA . 54.2 tp -100.48 121.72 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 176.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.7 t -119.75 127.87 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.148 -174.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.86 135.99 12.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.453 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -92.57 179.36 5.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 0.0 110.959 -168.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.454 ' HB2' HG22 ' A' ' 84' ' ' ILE . 74.3 mttt 50.34 40.23 22.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 170.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.0 m -74.66 -5.01 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -93.72 -8.6 40.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 172.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.9 tp -91.23 122.32 33.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.91 89.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.0 93.35 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -152.58 172.49 16.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.4 p -71.75 -175.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 54.8 t -45.59 145.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 7.3 tp10 -43.69 149.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -170.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 94.6 p -64.87 -10.67 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.4 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.8 mtt180 -58.92 -33.87 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 174.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' A' ' 129' ' ' GLN . 2.6 tt0 -69.91 -35.13 74.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.3 80.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -64.12 -46.12 85.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.0 -39.39 92.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 79.2 mt -65.57 -41.41 92.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.009 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.42 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -63.68 -39.88 95.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 175.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.23 -36.25 82.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 81.1 p -65.24 -24.57 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -103.64 5.09 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.93 27.43 66.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 170.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.04 153.86 78.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 111.156 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.11 154.9 42.29 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.242 . . . . 0.0 112.317 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -117.72 129.99 56.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 44.5 mm -118.08 138.55 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -97.72 131.0 44.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.692 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 5.8 t -135.05 169.27 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 36.7 t -161.25 141.89 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.28 -24.2 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 169.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.428 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.6 tttt -76.85 -68.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -171.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.428 HG23 ' HG2' ' A' ' 147' ' ' LYS . 40.4 p -138.03 -44.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.423 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 15.4 tpt180 -57.84 120.03 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -171.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -90.39 116.17 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.692 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -130.33 -55.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.544 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.439 HG23 HG21 ' A' ' 144' ' ' THR . 59.4 t -55.01 -49.58 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.798 0.333 . . . . 0.0 111.05 -172.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.23 -46.48 90.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.99 -34.64 78.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.6 -41.06 93.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -65.06 -38.59 91.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -63.97 -39.3 93.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 82.4 m -62.74 -42.11 99.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.01 -42.63 94.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.66 -43.95 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -65.04 -34.95 79.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.07 -37.91 89.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.1 -40.63 89.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -65.87 -31.71 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . 0.453 ' HB2' HE21 ' A' ' 165' ' ' GLN . 14.0 mt-30 -80.91 -43.72 19.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 24.8 m170 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -177.741 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.87 0.367 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -96.92 117.67 31.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -132.59 138.17 47.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -117.18 112.83 21.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 92.5 mttt -98.57 102.87 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -115.29 126.77 54.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.011 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.95 125.0 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.6 t -95.32 124.36 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.65 159.98 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.44 -168.49 41.61 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.411 ' HB2' ' HA ' ' A' ' 89' ' ' SER . . . -77.5 145.0 37.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.047 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.72 142.15 36.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.07 10.63 74.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.4 t -97.47 -69.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.03 65.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.68 -49.29 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.706 0.288 . . . . 0.0 110.803 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m -78.31 -34.06 48.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.914 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.95 87.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -167.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.32 -34.27 75.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.5 p -76.01 -37.27 58.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.1 mt -70.68 -42.09 77.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -67.57 -23.64 65.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.6 tp -67.43 -47.25 70.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.58 HG13 ' HG2' ' A' ' 25' ' ' GLN . 46.7 pt -86.83 -19.96 7.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -173.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.58 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.8 mm-40 -107.12 -22.43 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -176.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.2 m-20 64.95 35.07 8.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -172.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -154.93 138.49 15.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -89.34 130.14 35.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.84 164.04 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -102.98 -19.62 14.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -69.87 121.08 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -172.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -84.68 138.89 32.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -64.9 136.82 96.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.692 0.758 . . . . 0.0 110.864 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.72 152.75 64.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.619 2.213 . . . . 0.0 112.315 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.8 m -53.69 -39.69 65.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 -178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.3 mt -74.93 123.22 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 55.02 46.63 23.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -72.34 -24.21 61.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 m -110.01 149.94 29.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -149.27 161.4 42.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.929 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -121.53 145.86 47.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.81 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -142.19 129.91 21.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -78.79 123.35 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.88 159.64 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 -174.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.0 t -108.76 120.6 60.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 171.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.0 mt -124.95 124.24 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 59.01 29.28 18.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.79 -3.24 87.29 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -106.3 130.0 54.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -81.23 130.02 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -150.05 170.81 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -105.56 119.71 39.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.997 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.9 tp -97.34 116.06 28.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.951 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' HB3' ' HA ' ' A' ' 5' ' ' LYS . 67.6 t0 -100.35 114.39 27.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.6 mm -96.43 114.71 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.5 mt -106.29 124.26 49.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -172.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -114.07 166.55 11.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.7 m -91.75 139.11 30.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.15 137.23 52.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.04 -106.51 2.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . 99.6 mm-40 -82.22 168.73 17.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -175.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.93 -43.24 72.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -172.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -129.95 13.55 5.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.44 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 78.1 m-85 -124.54 86.27 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -137.84 116.73 12.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.41 -34.87 77.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.089 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mtp -70.7 -45.0 65.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -175.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -85.83 -43.7 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.946 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.34 -30.69 71.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -174.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -59.35 -45.2 92.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -74.84 -33.9 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.5 tpp -62.13 -29.2 70.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -56.58 -32.56 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.7 m -75.04 -44.21 49.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.55 28.59 47.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -64.09 -30.92 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.414 . . . . 0.0 110.911 -176.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.91 153.9 6.68 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.414 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.7 150.23 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.1 tp -107.69 131.96 53.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.948 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.8 m -100.24 115.35 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -114.95 133.61 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.421 ' HB2' ' HB3' ' A' ' 89' ' ' SER . 37.2 p90 -134.52 160.03 39.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.455 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -92.44 135.46 34.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 174.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.5 tp -66.08 -24.85 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 -173.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -98.28 -20.03 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.455 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 10.7 t-20 -94.74 98.08 10.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.5 m -60.06 -33.79 72.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.49 -24.28 67.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.865 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.421 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 66.8 m -57.05 -35.19 69.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.851 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -64.49 -37.22 86.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.66 -41.21 92.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.98 -43.22 99.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.6 mt -67.52 -38.76 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -55.78 -43.15 76.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -65.0 -42.33 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -56.7 -45.74 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -61.26 -48.88 79.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.962 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.79 -37.17 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.3 -51.33 64.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.06 -36.18 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 105' ' ' ASP . 86.7 tttt -53.92 -37.28 63.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -54.99 -46.9 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.5 t -76.5 -37.91 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.53 16.9 25.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -169.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' LYS . 38.8 t70 -41.46 -40.15 1.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.2 m -118.98 77.96 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -166.4 157.64 13.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.809 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -101.62 103.63 14.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.0 t -119.12 116.22 34.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.597 0.713 . . . . 0.0 111.098 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -54.59 126.21 21.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 112.371 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.417 ' O ' ' HD2' ' A' ' 140' ' ' PRO . 91.1 mtp -136.64 142.49 43.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 87.1 t -139.82 136.96 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 170.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.4 tp -98.06 119.85 37.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 84.0 t -118.19 127.09 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -173.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.04 135.08 12.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.338 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -90.69 -179.38 5.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 -172.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 56.75 65.09 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 143' ' ' GLU . 88.0 m -90.98 -14.97 30.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -94.79 -9.4 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -104.81 143.92 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.2 -43.13 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -55.93 120.97 8.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -164.95 161.85 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -175.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.1 t -84.98 -165.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 169.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.4 t -42.13 141.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -48.56 151.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -164.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.2 p -64.83 -19.1 65.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.42 -35.67 79.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -34.92 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 174.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.88 85.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -63.64 -45.66 89.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 173.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.87 -34.99 75.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.18 -40.98 95.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 174.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.54 79.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 173.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -64.88 -38.62 91.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 70.0 p -70.36 -22.72 62.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -89.42 -8.84 52.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.32 26.28 64.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.6 pt -132.87 153.68 81.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 0.0 111.206 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 111' ' ' MET . 27.9 Cg_exo -63.68 153.35 75.75 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.747 2.298 . . . . 0.0 112.328 176.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -118.02 126.81 53.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 41.5 mm -121.69 136.57 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.226 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.484 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 98.6 mt-10 -104.03 132.41 50.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 6.6 t -142.46 167.84 21.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -137.78 137.84 38.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.82 -22.8 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.1 170.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -77.49 -69.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -171.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.9 p -139.78 -44.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 110.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -171.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -80.06 120.06 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 143' ' ' GLU . . . -130.62 -51.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.8 p -55.34 -28.09 21.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -170.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -53.6 -43.68 68.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.14 -34.9 78.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.65 98.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.032 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -65.02 -37.9 89.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -64.82 -37.51 87.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 90.3 m -63.78 -42.8 97.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.187 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.0 -46.34 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 20.3 m -72.39 -27.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.67 -41.3 96.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 173.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.3 -42.42 93.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.98 -39.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -64.87 -43.93 91.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -83.16 -34.9 25.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -171.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 176.687 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -100.03 124.07 44.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -108.41 133.82 52.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -110.33 134.65 52.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -99.35 102.08 13.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 tt -114.87 119.66 37.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.77 128.56 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.3 t -96.53 124.28 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.57 163.08 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.3 -165.12 28.66 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.52 122.11 12.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.119 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.24 159.49 35.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.526 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 1.46 88.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.7 t -95.01 -77.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.087 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.49 54.65 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -67.37 -36.38 81.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.319 . . . . 0.0 110.891 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.9 t -63.87 -42.78 97.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 174.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.25 97.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 89.4 mt -66.18 -37.28 85.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.5 m -67.38 -44.21 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.33 -39.9 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 3.8 pp0? -69.43 -20.98 63.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -172.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.4 tp -70.43 -50.79 34.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.603 HG13 ' HG2' ' A' ' 25' ' ' GLN . 46.0 pt -81.24 -19.92 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 -171.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.603 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.8 mm-40 -110.5 -18.96 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -177.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 95.7 m-20 64.98 28.86 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -155.97 139.43 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -83.06 122.27 28.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.9 124.67 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 -177.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.27 -34.13 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -55.07 130.72 42.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -92.33 143.67 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.953 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -76.0 139.95 69.79 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.703 0.763 . . . . 0.0 110.827 -176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.33 156.22 62.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.237 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.9 t -53.72 -38.73 64.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -75.09 125.07 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 57.48 46.34 18.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -79.13 -15.3 58.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -113.67 149.16 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -172.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -136.99 152.97 50.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -174.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -124.7 147.15 48.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -148.08 138.29 22.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -176.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -78.36 124.91 28.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.68 160.03 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.09 116.52 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -130.96 126.51 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.2 t0 65.22 25.03 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -174.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.76 -3.43 85.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -111.62 135.8 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.918 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.6 m -79.16 129.93 34.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.9 p -148.92 173.8 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.6 tp -104.44 120.91 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.975 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.2 tp -106.26 115.87 30.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -100.07 111.86 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.0 119.47 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.291 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.9 mt -106.23 128.38 53.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -166.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -107.4 163.44 13.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.5 m -70.8 135.13 47.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.8 139.15 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.55 -101.81 2.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . 97.6 mm-40 -90.12 -177.75 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.83 -175.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.08 -43.01 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -128.27 -4.98 5.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.404 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 89.0 m-85 -109.47 104.61 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.6 t -140.61 120.21 13.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.71 86.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 65.4 ttp -69.95 -58.56 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -69.68 -44.6 70.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -167.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.67 -33.64 76.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.35 -43.84 98.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -65.98 -36.88 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.1 -35.03 79.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.62 -33.04 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.6 m -69.97 -40.96 75.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.27 25.46 63.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 172.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.0 -36.86 80.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.819 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.56 146.23 4.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -149.19 150.0 31.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -106.32 129.02 54.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.8 t -97.5 118.16 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -109.7 131.74 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.119 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HB3' HG21 ' A' ' 93' ' ' ILE . 32.3 p90 -131.02 163.81 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 177.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -94.0 133.05 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.547 HG13 ' HB2' ' A' ' 123' ' ' ARG . 9.7 tp -74.7 -22.84 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.118 -171.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -100.41 -17.04 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.617 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 44.3 t-20 -88.94 116.29 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 -176.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.4 m -68.75 -44.34 73.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.081 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.42 -27.29 67.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.913 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.3 t -59.19 -38.99 81.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -63.89 -42.6 97.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.39 -37.42 85.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.86 -47.69 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.41 HG21 ' HB3' ' A' ' 82' ' ' PHE . 50.3 pt -72.41 -25.97 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -175.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -61.66 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -71.55 -46.82 58.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -64.31 -48.63 74.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -172.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -67.44 -40.01 85.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -173.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -67.83 -43.16 80.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -63.63 -47.58 80.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.929 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.15 -43.05 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 105' ' ' ASP . 88.2 tttt -59.59 -44.31 93.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -64.99 -40.56 95.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -176.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.8 t -69.61 -40.11 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -102.46 10.02 39.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -173.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 101' ' ' LYS . 38.8 t70 -46.64 -47.92 20.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -176.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.1 m -85.03 61.99 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -169.44 160.04 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -95.76 86.35 4.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.65 108.09 49.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 -176.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -59.04 129.55 32.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 58.0 mtt -134.4 139.35 45.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.1 t -135.74 140.44 44.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.178 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 37.8 tp -109.31 127.77 54.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.486 HG12 ' HB ' ' A' ' 142' ' ' ILE . 28.1 m -130.05 143.46 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.72 151.6 18.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 172.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -91.79 178.93 5.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -171.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 54.97 44.83 27.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 170.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.5 m -89.86 11.32 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -103.61 -12.31 17.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 165.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.5 mt -103.18 150.59 23.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.26 36.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.09 115.68 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.078 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.547 ' HB2' HG13 ' A' ' 84' ' ' ILE . 30.8 ptt-85 -167.1 175.54 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 -177.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.8 t -82.04 -166.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 173.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 53.5 t -44.12 147.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.21 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -43.74 149.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -168.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.9 p -63.69 -12.77 37.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 -174.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -58.27 -33.11 69.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.418 ' HB3' HE21 ' A' ' 129' ' ' GLN . 3.7 tt0 -69.02 -37.41 78.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.031 176.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.39 90.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -58.22 -49.44 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 170.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.32 -36.52 80.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.19 -33.75 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.402 ' HB1' HG13 ' A' ' 139' ' ' ILE . . . -68.46 -39.82 81.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 169.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -69.13 -28.57 66.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.6 p -65.42 -28.03 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -105.4 0.7 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.16 38.68 17.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.497 169.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.402 HG13 ' HB1' ' A' ' 134' ' ' ALA . 43.4 pt -125.35 156.52 70.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.48 150.77 52.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -118.37 126.39 52.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.486 ' HB ' HG12 ' A' ' 114' ' ' VAL . 40.8 mm -121.64 138.41 52.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.14 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -91.29 131.62 36.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 10.6 t -141.31 163.35 33.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -143.29 140.08 30.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.92 -14.98 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -80.05 -69.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 50.4 p -138.91 -44.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -55.53 120.1 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -167.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -90.03 102.78 15.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.32 -27.06 2.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.541 170.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.29 -45.15 96.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.95 -44.84 96.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.0 -36.68 85.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.32 95.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -60.16 -42.96 96.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -64.72 -39.06 93.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.6 m -63.97 -43.22 96.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.57 -42.45 99.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.51 -39.9 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.58 -37.52 86.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.805 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -65.99 -35.39 80.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.99 -40.0 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 170.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -64.94 -30.39 71.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -85.33 -48.88 8.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -174.898 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.6 m -98.56 119.35 37.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -122.59 137.56 54.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -114.62 127.56 55.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -100.54 100.4 11.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.918 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -113.03 122.7 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.7 t -100.58 127.44 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -91.2 124.1 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.99 161.59 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.33 -167.58 38.31 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.45 144.99 43.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 111.076 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.98 140.71 30.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.58 22.32 53.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.456 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 83' ' ' ALA . 92.0 t -96.4 -71.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.082 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.59 54.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -72.48 -42.43 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.827 -168.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -68.68 -40.29 80.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.903 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.81 97.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 95.8 mt -65.61 -34.49 78.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.3 m -67.66 -42.56 82.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.158 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.36 -41.91 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.9 pp0? -66.95 -28.23 68.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -174.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.8 tp -74.88 -46.43 36.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.635 HG13 ' HG2' ' A' ' 25' ' ' GLN . 40.6 pt -82.07 -21.53 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 -171.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.635 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.6 mm-40 -112.45 -11.47 13.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.5 m-20 65.03 24.09 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -175.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -164.99 142.25 6.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -176.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -80.49 128.27 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.0 t -111.05 128.73 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -58.35 -43.68 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.9 108.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -82.04 120.16 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.979 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.66 140.03 86.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.66 0.743 . . . . 0.0 110.846 -172.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.1 165.45 32.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.611 2.207 . . . . 0.0 112.33 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.0 p -65.0 -14.83 61.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -78.17 123.97 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 172.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 54.8 49.14 18.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -90.0 -49.25 6.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -66.5 146.77 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.78 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -147.76 142.16 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.95 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -116.38 130.21 56.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.827 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -143.22 139.31 30.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.969 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -82.19 125.89 31.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.06 159.92 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -174.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.0 t -102.6 115.02 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -133.8 129.76 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t0 68.28 23.89 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.79 -4.12 80.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.433 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -112.16 136.93 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.978 0.418 . . . . 0.0 110.925 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.0 m -78.59 129.01 34.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.3 p -148.09 170.32 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -177.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.8 tp -104.99 118.49 36.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.993 -178.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.9 tp -112.57 116.5 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.981 -173.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -101.6 114.28 28.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.59 117.89 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.3 mt -108.51 115.63 30.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -101.8 147.01 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.8 m -59.84 135.14 57.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -172.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.28 146.0 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.46 -113.23 3.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.536 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -108.71 156.47 19.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.14 -37.74 81.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -89.93 -24.21 21.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -126.66 78.49 1.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.5 t -115.2 122.95 47.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.82 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.07 -31.83 73.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.17 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.9 mmt -78.68 -42.86 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -93.57 -61.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -173.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -75.26 -41.64 56.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -164.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -59.99 -45.02 94.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -77.14 -34.19 56.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.1 tpp -59.38 -29.61 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.865 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -55.75 -33.91 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -77.95 -47.13 19.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.69 22.32 53.71 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.449 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.93 -37.38 66.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.835 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.08 149.84 5.84 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.402 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -150.33 151.35 32.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.8 tp -102.87 129.92 49.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.9 m -95.22 118.04 31.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.6 t -112.55 131.5 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.454 ' HB2' ' HB3' ' A' ' 89' ' ' SER . 33.0 p90 -133.46 159.04 41.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.685 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -89.25 132.67 34.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 175.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.597 HG13 ' HB2' ' A' ' 123' ' ' ARG . 10.6 tp -68.95 -25.28 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.183 -170.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -102.09 -16.81 16.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.685 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 11.2 t-20 -92.97 101.81 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 176.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.0 m -59.43 -34.81 72.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.141 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.59 -24.01 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 58.0 m -59.24 -38.34 79.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -64.14 -36.84 85.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.63 -40.31 95.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -64.08 -39.93 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.5 mm -64.97 -40.2 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -58.75 -44.44 90.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.836 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -62.8 -42.24 99.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -57.01 -44.51 82.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -61.11 -45.59 94.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.06 -38.07 89.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.74 -50.32 63.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.8 mm -63.49 -39.41 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.56 -40.88 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -56.56 -52.48 64.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -176.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.9 t -76.81 -39.55 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -103.6 13.98 32.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -168.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -40.03 -44.9 1.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.4 t -121.76 94.92 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 173.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -165.63 163.12 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.94 81.87 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.8 t -119.84 112.24 35.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.658 0.742 . . . . 0.0 111.152 -174.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -77.6 136.75 15.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.789 2.326 . . . . 0.0 112.283 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 46.7 mtt -137.66 143.79 41.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.4 t -137.73 135.24 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 168.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.466 ' HB2' HD12 ' A' ' 139' ' ' ILE . 49.2 tp -104.56 119.22 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.35 135.06 64.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.88 153.34 17.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.403 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.444 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 48.2 p-10 -96.43 177.69 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -170.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.99 48.8 21.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 165.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.4 m -90.88 12.37 19.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -98.84 -10.23 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 161.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 64.3 tp -89.93 120.79 31.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.14 93.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 114.98 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.117 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.597 ' HB2' HG13 ' A' ' 84' ' ' ILE . 40.7 ptt180 -165.0 -179.96 6.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.1 t -78.52 -168.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.3 m -48.6 152.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 6.6 tp10 -47.07 146.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -169.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.3 p -66.09 -20.15 66.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -173.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.407 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.6 mtt180 -66.66 -38.07 86.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.2 -43.18 67.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.99 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.87 84.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -58.63 -48.64 80.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 172.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.2 -35.01 74.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.99 -41.99 94.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.99 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.88 85.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 174.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -67.66 -36.02 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.5 p -67.48 -20.76 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 173.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -89.66 -7.33 54.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.26 24.2 69.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' A' ' 113' ' ' LEU . 40.4 pt -130.41 152.21 79.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 111.145 -176.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.78 152.93 47.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.28 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -116.9 122.34 44.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.1 mm -120.17 136.36 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.181 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -107.35 123.48 48.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 5.9 t -136.53 161.58 35.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.9 t -135.32 139.32 44.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.9 -22.19 66.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.125 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.8 tttt -74.74 -68.94 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -172.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 147' ' ' LYS . 40.4 p -138.17 -44.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -58.13 119.9 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -169.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -90.36 113.42 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.66 -54.44 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.12 -29.51 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.22 -43.49 82.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.788 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.15 -34.7 78.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.36 96.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -62.98 -41.57 99.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -66.44 -41.96 88.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.2 m -64.83 -41.46 95.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 32.4 mt -61.19 -45.06 96.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.25 -40.95 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.5 -37.14 86.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -65.88 -41.13 91.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.97 -39.98 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -61.63 -34.55 75.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . 0.432 ' HB2' HE21 ' A' ' 165' ' ' GLN . 16.5 mt-30 -75.95 -44.37 40.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 177.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 178.551 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.6 m -92.05 124.95 36.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -98.14 130.18 44.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -136.34 133.32 36.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -101.0 121.47 41.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -120.06 126.48 50.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 65.4 t -100.57 126.81 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.207 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.7 t -93.15 122.07 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.61 160.57 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.236 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.94 -176.67 42.47 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.449 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 89' ' ' SER . . . -63.75 130.39 44.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 111.037 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.91 141.8 30.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.492 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.15 -1.15 69.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -94.98 -79.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 111.12 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.09 54.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.392 170.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -67.41 -35.6 79.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.382 . . . . 0.0 110.97 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -75.64 -40.19 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 175.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.12 97.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.131 -174.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.36 -42.13 93.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.9 m -67.95 -47.12 69.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.18 -48.21 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -70.42 -35.93 73.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -174.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.2 tp -63.3 -53.13 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -66.64 -32.18 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.169 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -96.84 -5.13 39.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.4 t30 50.94 46.35 26.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -160.08 144.98 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -176.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -94.78 125.39 39.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -174.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.0 159.79 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -147.3 24.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -119.67 29.72 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -87.7 133.34 33.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.98 140.06 88.36 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.55 0.69 . . . . 0.0 110.883 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -75.96 151.43 35.3 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.5 m 64.19 35.34 10.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.811 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.0 mm -115.16 138.2 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -96.82 38.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -63.66 108.22 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -110.64 154.94 23.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -170.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -130.05 150.1 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -167.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -126.15 134.19 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.873 173.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -137.4 131.14 31.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -173.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -93.19 123.99 36.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -134.08 159.96 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 -175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.96 122.7 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.155 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.2 mt -121.42 118.96 57.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 55.62 33.84 22.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.74 3.08 90.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -109.98 127.78 55.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.997 0.427 . . . . 0.0 110.888 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.2 m -74.13 128.54 35.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.0 t -138.96 139.26 37.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.7 tp -106.62 117.12 33.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.9 mt -106.42 115.24 29.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -170.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -93.51 110.05 21.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.52 114.23 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.2 tp -94.05 122.57 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -175.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -93.35 118.28 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.8 p -90.86 151.54 21.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.11 154.83 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.11 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.13 -109.4 3.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.96 169.98 16.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 110.941 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.46 -44.72 50.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -177.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -130.63 -20.06 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -83.52 76.55 9.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -167.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.7 t -150.44 140.0 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 171.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.79 81.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.085 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 67.5 mtt -67.49 -43.42 80.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -64.37 -42.43 96.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.87 -43.31 93.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -65.3 -47.19 77.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -175.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -76.12 -47.12 25.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.0 mtt -65.45 -26.83 68.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -61.92 -31.15 71.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.8 p -88.61 -32.1 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.734 ' HA3' ' HB3' ' A' ' 106' ' ' SER . . . 70.91 26.28 74.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.461 169.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.75 -38.28 69.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.0 158.64 9.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.428 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.35 148.63 28.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 110.916 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.1 tp -106.66 130.62 54.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.0 m -101.22 122.35 43.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -171.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.6 t -110.76 125.01 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.79 158.57 16.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -172.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.46 151.63 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -176.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 pt -89.94 -22.27 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -100.04 -42.25 6.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -88.09 98.98 11.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.1 m -61.09 -34.14 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.91 -17.89 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 60.5 p -58.28 -29.15 65.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.787 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -64.58 -42.74 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.74 -42.55 86.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.34 -44.19 83.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -69.43 -39.96 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -60.49 -38.72 85.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.779 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.82 -44.37 96.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.949 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -57.79 -38.98 76.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -57.25 -47.19 82.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.04 -35.05 79.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.73 -49.67 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.28 -42.22 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -67.66 -51.99 43.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -89.66 -58.14 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -172.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.8 t -70.85 -41.31 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.089 -169.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -87.61 -8.86 55.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 64.87 33.92 9.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.814 172.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.734 ' HB3' ' HA3' ' A' ' 75' ' ' GLY . 73.8 m -97.23 153.47 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -69.6 160.69 31.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.795 -174.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -91.18 105.41 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 111' ' ' MET . 33.8 m -110.4 160.02 29.99 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.615 0.722 . . . . 0.0 111.029 -176.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.34 133.38 42.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.57 2.18 . . . . 0.0 112.394 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.447 ' O ' ' HB ' ' A' ' 139' ' ' ILE . 55.4 mtt -129.98 161.95 29.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.7 t -129.55 133.35 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.5 mt -102.28 121.8 42.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.7 t -118.93 129.09 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -170.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.61 146.12 16.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -100.0 168.66 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -171.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 49.52 45.41 24.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.8 m -93.16 11.76 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.789 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.448 ' HB3' ' HB2' ' A' ' 149' ' ' ARG . 58.9 p30 -114.43 4.02 15.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 169.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.1 mt -107.0 159.31 16.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 175.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.92 79.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.71 98.29 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.018 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -110.04 172.16 7.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.795 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.8 t -81.44 -170.29 2.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.178 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 33.9 m -51.66 153.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.207 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -43.6 130.04 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -176.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.9 m -58.71 -30.11 67.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -172.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.03 -39.15 92.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.927 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -70.84 -46.5 62.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.03 80.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -64.99 -45.52 85.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 175.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -63.24 -34.5 77.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.05 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.9 76.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -66.27 -30.56 71.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -176.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.7 p -64.86 -22.32 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -104.16 0.32 29.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.876 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.99 27.67 64.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.447 ' HB ' ' O ' ' A' ' 111' ' ' MET . 40.0 pt -126.07 159.94 59.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.593 0.711 . . . . 0.0 111.171 -174.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 90.5 Cg_endo -79.62 154.5 23.84 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 -176.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -113.27 129.99 56.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 172.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.3 mm -118.11 138.31 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.193 -174.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -99.99 130.24 46.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.431 HG21 HG13 ' A' ' 152' ' ' VAL . 6.3 t -134.71 177.64 7.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.9 t -149.68 131.55 15.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 168.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.13 -20.26 63.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 166.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -74.05 -69.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 42.1 p -142.24 -44.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.448 ' HB2' ' HB3' ' A' ' 119' ' ' ASP . 75.7 ttt180 -61.13 128.43 36.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.794 -171.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.98 118.47 29.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.982 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.408 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -127.72 -51.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.416 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.431 HG13 HG21 ' A' ' 144' ' ' THR . 15.7 m -55.75 -27.34 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 111.142 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -55.88 -46.33 78.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.89 -43.7 71.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.37 -31.89 73.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 152' ' ' VAL . 89.2 t80 -61.97 -49.79 74.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -173.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -80.54 -36.94 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.4 m -64.52 -44.08 92.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.221 -178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.36 -44.91 96.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.18 -44.61 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -57.69 -48.44 79.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -68.72 -42.93 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -171.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.8 mt -70.27 -39.87 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -64.64 -40.7 95.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -79.98 -32.49 39.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.43 ' OXT' ' CG ' ' A' ' 166' ' ' HIS . 85.9 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 170.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 ttm . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.836 0.35 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.2 m -97.96 125.56 42.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -96.84 133.22 41.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -175.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -119.95 116.37 25.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -96.63 106.07 18.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.881 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.7 mt -107.13 123.76 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.0 125.07 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.9 t -95.73 127.49 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 -178.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.2 m -128.83 152.66 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.5 175.37 39.82 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.38 128.07 34.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.52 146.95 39.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.91 -33.33 6.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.4 t -75.68 -84.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.894 0.378 . . . . 0.0 111.057 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.24 55.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.415 171.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -64.83 -36.56 84.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -83.74 -50.25 8.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.68 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.068 -172.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.78 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 p -82.95 -33.39 26.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.7 -39.22 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -62.64 -24.45 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.57 -41.37 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.417 HG21 ' HB3' ' A' ' 40' ' ' TYR . 47.7 mm -68.52 -30.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.23 -4.42 51.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -176.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 57.17 37.18 28.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -168.18 141.26 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -79.78 116.32 19.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -170.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.4 m -130.96 152.58 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -145.07 24.97 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -109.97 25.73 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -176.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -82.18 130.17 35.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.06 140.01 90.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.872 -176.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.88 151.04 39.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -176.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m 61.85 34.94 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 176.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mm -112.89 135.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.215 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -101.56 39.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -86.62 99.9 12.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.4 m -89.51 156.6 18.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' HB3' HG21 ' A' ' 24' ' ' ILE . 97.7 m-85 -129.47 150.16 50.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -171.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -130.09 140.26 50.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -135.78 130.57 34.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -75.09 125.91 29.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 174.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -133.66 161.79 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.037 -173.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.19 122.5 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.151 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.1 mt -124.51 120.41 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 58.7 29.55 18.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.16 -0.91 88.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -103.6 139.27 39.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.954 0.407 . . . . 0.0 110.878 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.4 m -69.75 122.13 18.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.3 m -132.46 158.64 41.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -109.65 123.24 49.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 172.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.31 97.82 10.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -99.4 109.36 21.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -101.62 116.81 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 mt -102.99 126.29 50.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -171.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -92.63 139.98 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.041 0.448 . . . . 0.0 110.845 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.2 p -109.16 147.42 32.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.05 145.43 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.04 -104.97 2.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.459 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -84.92 159.02 20.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.668 0.27 . . . . 0.0 110.941 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.71 -41.38 53.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -140.03 0.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.38 77.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -173.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.4 t -155.05 154.04 31.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.9 73.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.063 172.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.8 tpp -79.94 -40.17 28.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -80.2 -60.51 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -174.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.01 -42.07 94.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -169.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.92 -49.62 71.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -172.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -77.92 -33.07 51.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -173.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.7 mmm -64.38 -24.75 67.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.954 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -54.15 -36.59 63.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 174.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.8 m -80.91 -50.09 10.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 175.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 26.7 73.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 172.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -51.74 -41.46 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 172.65 159.98 20.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -145.16 150.0 35.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.1 tp -104.65 126.85 52.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.9 115.37 28.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.9 t -101.17 123.94 54.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -94.13 134.0 37.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.45 152.14 28.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mm -80.76 -35.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -173.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -99.85 -40.45 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -84.88 96.25 9.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.1 m -62.7 -33.81 75.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 173.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.51 -18.01 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.7 p -56.81 -33.63 66.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.819 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.91 -48.45 74.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.5 -38.58 90.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.929 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.32 -40.97 98.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.73 -43.06 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -60.08 -43.61 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -63.27 -44.57 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -62.94 -38.01 89.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -59.15 -52.79 64.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.31 -34.53 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 103' ' ' VAL . 28.9 tt0 -66.3 -52.85 43.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -176.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.15 -39.9 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.108 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -55.25 -46.09 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.96 -39.26 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 99' ' ' GLN . 54.4 t -64.54 -38.1 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -94.97 -5.0 45.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 54.97 46.65 23.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -174.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 t -99.93 156.87 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.735 -173.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -79.49 -179.7 6.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.829 169.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -76.59 118.9 19.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.51 160.21 28.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.724 . . . . 0.0 111.08 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -53.46 131.16 42.15 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.5 ttt -145.02 139.98 27.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.6 t -133.79 138.32 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.157 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.6 tp -102.72 123.52 46.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.48 134.57 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.11 147.79 18.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.44 HD21 ' HB2' ' A' ' 146' ' ' ALA . 16.8 t-20 -100.02 170.55 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -170.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.4 mttt 54.97 38.67 30.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.0 m -84.95 -11.39 55.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.854 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -104.33 3.55 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.48 157.46 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.16 94.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 175.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.03 97.54 5.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.054 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -110.04 154.96 22.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -173.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.7 t -84.94 -167.59 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 34.0 m -50.8 154.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.12 132.62 47.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -169.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.2 m -58.06 -34.97 70.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.3 -37.14 84.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -68.42 -46.15 70.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.12 79.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -65.21 -46.37 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.01 -36.89 85.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.92 -41.03 95.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.443 ' HB1' HG13 ' A' ' 139' ' ' ILE . . . -64.89 -41.32 95.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -67.19 -30.44 70.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.1 m -64.94 -30.99 72.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -94.36 -3.22 50.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.07 29.65 53.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.478 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.443 HG13 ' HB1' ' A' ' 134' ' ' ALA . 45.9 pt -125.05 156.68 69.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.34 150.49 32.62 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.408 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -115.77 127.09 54.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 173.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -125.83 139.94 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.123 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -97.44 133.38 42.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.563 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 6.0 t -135.17 172.36 13.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 177.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 47.1 t -142.6 129.99 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 171.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -59.21 -21.82 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 171.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.05 -64.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 92.8 m -144.77 -44.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -175.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.418 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 75.8 ttt180 -62.67 130.05 43.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -169.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -90.08 121.13 31.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.563 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -136.67 -52.54 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.429 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.427 HG23 HG21 ' A' ' 144' ' ' THR . 56.4 t -55.55 -39.28 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.767 0.318 . . . . 0.0 111.078 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.09 -43.62 82.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -67.17 -34.52 77.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.35 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -62.13 -44.72 96.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 173.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -64.5 -43.97 92.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 92.2 m -66.86 -40.53 87.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.204 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.44 -38.41 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.27 -42.66 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -62.74 -37.67 87.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.08 -36.77 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.4 mt -64.95 -40.34 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.74 -39.2 93.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 -173.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -83.22 -33.39 26.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.411 ' ND1' ' OXT' ' A' ' 166' ' ' HIS . 65.4 t-80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.847 173.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.848 0.356 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.9 m -98.63 124.74 43.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.092 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -92.09 137.0 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -173.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -127.15 140.08 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -97.21 112.56 24.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.5 tp -119.78 128.0 53.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -108.02 132.4 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.251 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -101.57 124.98 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.97 162.12 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.212 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.07 -178.21 40.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.436 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.66 135.52 52.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 111.086 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.12 161.23 50.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.405 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.28 -37.99 3.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.415 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -75.03 -84.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 0.0 111.086 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.67 64.95 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 170.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -66.47 -27.71 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 171.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -66.78 -40.08 88.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.156 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.12 -39.75 93.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.0 m -65.78 -46.97 76.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.77 -38.26 81.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.471 ' HG3' ' HA ' ' A' ' 28' ' ' PHE . 26.7 tt0 -67.13 -49.86 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -167.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.67 -46.32 79.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.899 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -64.99 -33.24 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.72 -2.38 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 55.56 42.62 29.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.454 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 85.3 t60 -158.87 140.63 13.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -176.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.471 ' HA ' ' HG3' ' A' ' 22' ' ' GLN . 79.6 m-85 -80.03 122.09 26.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -172.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -134.96 153.05 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -169.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -145.07 23.61 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -109.12 40.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -68.38 152.96 44.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -98.76 114.61 65.59 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.2 145.88 61.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.8 m 50.01 60.0 4.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 tp -122.9 149.8 26.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.212 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.56 9.9 24.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -75.01 85.06 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.2 m -97.95 160.62 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -130.23 145.65 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -167.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -129.19 137.13 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 171.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -145.42 135.89 24.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -174.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -83.13 127.21 33.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -134.92 160.06 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.8 t -112.68 122.14 66.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.177 172.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 88.3 mt -125.6 121.98 61.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 59.65 26.5 15.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -175.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.22 -4.23 84.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.573 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -100.61 129.15 46.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.872 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -80.23 122.09 26.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -173.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.8 m -127.75 154.78 44.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 tp -113.38 112.11 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 173.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.9 tp -96.95 110.78 23.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -169.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -97.66 109.26 22.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 176.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.5 mt -102.28 115.28 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 tp -104.54 118.32 36.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -92.52 120.69 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -79.56 139.93 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.08 139.94 41.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.0 -114.95 5.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -86.73 143.37 27.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.696 0.284 . . . . 0.0 110.994 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -76.68 -36.44 57.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.874 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -97.01 -11.09 24.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.85 80.51 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.8 t -156.79 136.06 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.41 75.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.051 167.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.4 mtm -66.85 -38.57 86.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -61.76 -51.05 69.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.67 -35.08 79.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -173.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -62.16 -51.06 69.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -169.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -77.02 -37.54 54.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.7 mmm -64.04 -23.26 67.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -57.09 -33.52 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.6 p -91.79 -27.32 18.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.06 22.4 76.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.46 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.84 -49.11 77.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.68 162.25 21.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.531 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -149.98 149.75 30.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.4 tp -100.96 131.54 46.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.8 t -106.66 116.48 32.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -174.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.94 130.02 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.422 ' HB2' HD11 ' A' ' 113' ' ' LEU . 56.1 t80 -112.52 144.14 42.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -170.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.42 157.51 37.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -172.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.7 mm -83.25 -40.43 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -100.17 -40.66 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -80.35 100.05 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -171.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.5 m -64.24 -34.25 77.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.078 172.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.36 -21.67 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -173.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.8 m -56.54 -32.95 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.73 -40.18 91.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.86 -39.13 93.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.78 -38.57 91.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 175.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.12 -40.45 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.03 -43.13 95.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.787 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.17 -42.09 97.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -60.21 -43.48 95.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -59.2 -51.0 71.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.59 -32.45 74.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.994 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -65.0 -47.54 77.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.86 -48.03 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.94 -58.97 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -86.31 -56.76 3.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -170.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.1 t -69.25 -41.37 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -168.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.8 -6.51 42.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 54.93 41.05 32.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -100.22 153.24 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.82 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.1 p30 -75.13 -179.9 4.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.774 173.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -65.33 112.88 3.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.5 t -92.32 130.76 36.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 111.093 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -49.86 126.99 17.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.743 2.296 . . . . 0.0 112.374 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.427 ' HE3' HD13 ' A' ' 139' ' ' ILE . 43.0 ttp -146.57 141.58 27.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 77.0 t -131.1 138.15 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.148 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.422 HD11 ' HB2' ' A' ' 82' ' ' PHE . 51.9 tp -93.61 121.95 35.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 91.7 t -117.09 127.71 74.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.14 139.62 15.45 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.46 173.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -99.89 173.51 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 -174.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 60.4 35.02 20.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 171.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 98.1 m -87.2 4.9 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 -176.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -112.46 2.44 16.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.82 170.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.9 mt -104.71 164.3 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.008 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.44 91.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.41 95.43 4.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.041 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -110.08 159.9 16.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.806 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.2 t -80.12 -170.04 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.8 t -46.5 133.34 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -48.39 137.6 11.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -171.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.0 p -57.78 -30.83 65.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -168.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -65.02 -45.32 86.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 176.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.457 HE21 ' HB2' ' A' ' 129' ' ' GLN . 15.0 mt-30 -74.84 -41.18 60.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.95 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -58.0 -49.92 75.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.36 -34.85 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' A' ' 133' ' ' LEU . 0.8 OUTLIER -64.96 -38.6 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 175.454 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.463 ' HB1' HG13 ' A' ' 139' ' ' ILE . . . -68.39 -34.94 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 173.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -65.21 -25.1 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.3 p -65.02 -22.84 67.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.41 ' HB2' HG12 ' A' ' 139' ' ' ILE . 26.2 m-85 -104.93 -0.56 26.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.24 28.82 67.41 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.463 HG13 ' HB1' ' A' ' 134' ' ' ALA . 45.1 pt -120.83 157.3 55.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.688 0.756 . . . . 0.0 111.129 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.35 154.14 31.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.356 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -112.23 128.84 56.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 44.5 mm -121.0 136.13 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.407 ' O ' ' HA3' ' A' ' 151' ' ' GLY . 56.1 mt-10 -102.77 126.98 50.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.2 t -136.9 176.38 8.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 149' ' ' ARG . 31.0 t -148.9 136.01 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 177.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.93 -12.87 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.054 168.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -94.92 -68.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 -168.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.6 p -138.66 -38.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -173.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 145' ' ' SER . 76.6 ttt180 -81.82 103.7 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 -170.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -75.01 121.37 21.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 143' ' ' GLU . . . -131.63 -48.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 174.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 5.7 p -56.62 -28.24 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 0.0 111.16 -168.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.28 -44.48 71.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -67.33 -35.3 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.976 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.34 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -65.59 -42.23 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -64.34 -44.57 91.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 87.5 m -67.65 -43.59 79.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.159 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.03 -44.12 90.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.994 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.86 -38.01 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -55.06 -43.05 73.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 172.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.92 -38.07 82.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.62 -37.28 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -61.95 -26.9 68.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -84.55 -47.01 11.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.793 178.147 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.5 m -111.14 134.86 52.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -90.84 128.73 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -117.62 117.5 29.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -97.87 109.89 22.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.817 -175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.6 tp -106.6 130.04 54.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -105.49 120.41 56.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 168.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.8 t -99.98 124.96 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.9 t -130.42 143.29 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.23 178.08 45.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.22 122.64 25.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 111.043 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.75 141.83 30.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.02 -75.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.2 t -80.44 -49.66 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.85 58.36 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -52.91 -48.62 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.714 0.292 . . . . 0.0 110.838 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -64.95 -39.91 94.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.815 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.68 97.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 61.0 tp -66.37 -40.14 89.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.985 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.436 HG21 ' HB2' ' A' ' 57' ' ' ASP . 97.0 m -66.89 -44.56 80.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -72.77 -37.55 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 -173.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.8 pp0? -65.0 -23.19 67.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.9 tp -70.8 -48.71 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.446 HG23 ' HG2' ' A' ' 25' ' ' GLN . 10.2 tp -78.07 -26.51 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -176.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 97.9 mm-40 -101.57 -23.94 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -176.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.9 m-20 70.19 14.82 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -140.97 146.66 37.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -92.06 120.55 32.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.39 160.78 33.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.08 -25.25 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.1 133.43 48.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -122.27 164.3 18.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -90.1 113.34 56.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.7 168.49 24.66 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.5 p -53.78 -27.24 27.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -76.24 124.36 34.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 170.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -48.93 109.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.799 -173.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -122.82 76.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.9 p -74.98 156.72 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.756 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -124.57 143.38 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.914 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -130.51 139.98 50.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -157.44 136.49 11.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -89.92 127.31 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.9 m -138.24 164.93 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.091 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.0 t -99.78 122.66 51.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 174.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.3 mt -122.61 122.27 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 58.61 30.41 19.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.89 -0.77 89.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.424 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -109.08 129.28 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.925 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -79.11 128.14 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.2 p -146.2 167.39 23.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.1 tp -116.93 120.99 40.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.4 mt -104.35 131.71 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -123.31 109.9 14.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 172.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.42 HD12 ' HB ' ' A' ' 24' ' ' ILE . 75.9 mt -113.24 126.63 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 -171.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 tp -116.26 122.37 44.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' HB2' HG21 ' A' ' 20' ' ' THR . 37.0 t70 -85.21 133.77 34.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.8 173.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.2 p -86.75 158.43 19.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.39 131.33 15.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.069 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.61 62.39 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.2 pm0 -64.16 -18.89 64.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 110.876 -173.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.98 -36.4 77.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.3 mt-10 -118.47 42.52 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 -173.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.547 ' C ' ' O ' ' A' ' 63' ' ' GLU . 66.9 m-85 -27.1 125.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.963 -175.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.1 t -79.96 148.99 30.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.793 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.79 -27.71 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.074 172.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.8 mtm -66.52 -36.95 83.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.884 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -76.98 -38.01 54.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 72' ' ' MET . 99.1 m-20 -59.79 -29.18 68.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -55.26 -52.19 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -74.0 -35.83 64.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.415 ' HB2' ' HA ' ' A' ' 69' ' ' ASP . 74.2 mtp -63.49 -38.32 90.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -176.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -69.76 -32.52 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.981 0.42 . . . . 0.0 110.923 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.5 m -72.96 -47.98 40.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.584 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 75.1 27.28 64.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.413 166.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -50.78 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.78 151.86 20.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.464 168.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -144.05 126.79 16.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 0.0 110.812 -175.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.3 tp -111.38 125.09 53.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.882 -176.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.5 m -106.23 116.85 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.1 t -114.32 125.16 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' HB2' ' OG ' ' A' ' 89' ' ' SER . 44.6 p90 -147.51 162.19 39.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -84.55 140.0 31.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.7 tp -80.4 -20.13 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' A' ' 121' ' ' ALA . 55.6 p30 -104.37 -15.82 15.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -173.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.521 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 38.4 t-20 -88.32 113.33 23.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 172.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.5 m -64.27 -44.27 92.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.7 -28.93 68.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.407 ' OG ' ' HB2' ' A' ' 82' ' ' PHE . 9.6 t -58.24 -33.19 69.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -61.03 -42.63 98.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.26 -33.02 71.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.64 -30.46 67.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -176.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.8 mm -62.31 -44.22 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -63.52 -42.75 98.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.791 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HB2' HE21 ' A' ' 95' ' ' GLN . 20.8 mt-30 -65.09 -47.36 77.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -64.43 -42.4 96.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.28 -50.32 74.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.032 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -71.66 -40.83 69.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -67.86 -47.64 68.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.6 mt -56.85 -46.94 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.76 -44.01 81.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -70.39 -43.4 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.07 -41.99 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 -173.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -87.33 -2.21 58.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 55.0 43.04 30.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 172.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.1 m -135.99 174.11 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -176.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -75.04 175.97 7.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -177.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -84.49 121.01 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.584 HG11 ' HA3' ' A' ' 75' ' ' GLY . 31.4 m -95.92 155.68 38.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 111.139 -174.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.83 135.94 46.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.611 2.208 . . . . 0.0 112.311 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 24.2 ptp -147.05 159.98 42.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.7 t -121.97 133.92 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.156 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.2 mp -96.93 127.28 42.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.2 t -124.6 126.92 72.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -86.51 136.45 14.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -110.05 166.73 10.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 58.84 57.04 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 173.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.0 m -86.58 -27.08 24.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -103.02 -9.86 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 79.1 mt -101.69 130.47 48.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.48 ' HB3' ' ND2' ' A' ' 85' ' ' ASN . . . 49.53 85.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.048 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.54 142.61 48.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -120.06 178.24 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.872 -172.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.5 p -125.03 73.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 168.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 83.9 t -120.26 134.25 64.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -69.17 122.34 18.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.8 p -64.87 -26.54 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.85 -39.27 91.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -68.32 -45.15 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.91 96.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 131' ' ' GLN . 11.2 mt-30 -69.51 -45.49 68.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.437 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 89.4 m-20 -59.93 -30.16 68.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.818 -178.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 68.6 tp -58.24 -47.07 84.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 141' ' ' TYR . . . -73.61 -33.44 64.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 176.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.437 ' HB2' ' HA ' ' A' ' 132' ' ' ASP . 99.2 mtt180 -65.5 -32.04 73.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -177.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.2 p -65.12 -23.91 67.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -102.83 4.69 38.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.957 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.7 38.89 41.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.0 tp -143.19 132.24 11.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.089 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.72 147.32 24.73 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.707 2.272 . . . . 0.0 112.393 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.499 ' HB2' ' HB3' ' A' ' 134' ' ' ALA . 57.4 t80 -107.36 133.58 51.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -172.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 96.4 mt -116.98 132.31 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -110.0 128.77 55.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.974 173.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.8 t -150.39 -179.87 7.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.455 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 58.2 m -129.87 121.41 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 171.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.71 -25.96 66.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 -172.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.19 -50.01 65.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -171.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.4 p -124.78 -16.78 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -169.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.455 ' HB2' ' H ' ' A' ' 145' ' ' SER . 93.5 mtt-85 -113.32 147.94 36.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -169.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -99.91 110.32 22.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 168.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.2 -27.67 2.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.42 174.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.53 -26.84 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.163 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.78 -47.2 86.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.887 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.89 -35.17 79.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.55 94.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.46 -37.85 83.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -61.52 -36.89 81.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.2 m -63.45 -42.68 98.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 74.1 mt -61.74 -41.8 98.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.83 -43.88 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.069 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.49 -40.14 96.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -65.04 -41.28 95.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.54 -41.4 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.5 -34.37 78.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -70.68 -44.52 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 62.1 m170 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.1 m -79.47 130.1 35.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.071 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -97.88 130.59 44.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -119.59 127.76 53.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.6 100.02 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.801 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.667 ' CD2' ' HA3' ' A' ' 77' ' ' GLY . 44.3 mt -109.39 125.81 52.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -169.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.7 t -103.88 124.01 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.17 128.67 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m -123.0 161.67 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.06 152.37 5.63 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.31 142.48 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.129 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.51 132.38 27.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.541 175.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.03 -54.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.587 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.6 t -108.13 -57.01 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.88 55.05 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 2.1 tmmm? -50.27 -66.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.6 t -69.98 -39.94 75.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.7 94.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -170.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 87.2 mt -65.84 -33.17 75.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.0 m -70.87 -41.88 70.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.0 mt -67.83 -40.91 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -174.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.8 pp0? -62.78 -24.01 67.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -172.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.6 tp -66.18 -44.32 84.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 97.2 mt -80.85 -36.76 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.099 -175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 99.5 mm-40 -96.67 -12.46 23.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -175.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.7 m-20 69.2 15.08 8.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -140.38 139.31 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -102.09 119.74 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 m -124.93 165.13 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -78.49 -11.95 59.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.71 152.41 37.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -137.64 162.5 33.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.979 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -64.78 115.13 17.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.552 0.691 . . . . 0.0 110.902 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.27 166.47 28.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.741 2.294 . . . . 0.0 112.314 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.5 p -55.28 -27.53 47.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 172.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.66 131.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 173.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -47.36 111.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.833 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -142.64 62.77 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 172.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -77.22 158.13 30.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -126.49 144.71 50.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -122.72 141.06 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.888 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -141.49 129.51 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -95.08 123.64 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -137.47 159.96 35.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -173.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -107.73 121.08 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 170.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.2 mt -123.34 121.08 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 56.09 32.4 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.65 -2.07 88.34 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -102.09 118.85 37.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.9 m -77.18 129.18 35.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.157 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -148.64 160.0 43.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.1 tp -111.96 121.73 45.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.2 mt -94.94 110.17 22.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -94.87 108.3 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 174.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.9 mm -105.92 119.2 54.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.081 -168.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 68' ' ' ARG . 69.7 tp -116.92 117.01 28.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.963 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -89.75 139.63 30.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.487 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 67.6 p -85.78 147.35 26.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -155.82 129.67 8.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.049 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.53 49.88 57.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.422 -169.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -59.79 -22.42 62.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.682 0.277 . . . . 0.0 110.812 -167.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.0 -30.27 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.593 ' O ' ' C ' ' A' ' 64' ' ' TYR . 67.7 mm-40 -99.96 33.94 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.593 ' C ' ' O ' ' A' ' 63' ' ' GLU . 66.2 m-85 -20.9 108.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.6 p -79.63 154.85 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.98 -32.83 74.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.065 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -63.82 -44.9 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.881 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.487 ' HE ' ' HA ' ' A' ' 58' ' ' THR . 71.2 mtt85 -75.46 -29.75 59.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.897 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.74 -31.3 72.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.93 -51.53 69.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -72.56 -35.61 68.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.403 ' SD ' HG23 ' A' ' 100' ' ' ILE . 59.9 ttm -64.87 -43.15 93.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -69.75 -30.45 68.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -174.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.9 m -78.68 -49.93 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.88 27.73 64.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.487 165.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -46.79 -48.57 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -177.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.667 ' HA3' ' CD2' ' A' ' 6' ' ' LEU . . . -141.91 153.9 24.54 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 172.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -144.99 116.14 7.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -171.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.3 tp -117.71 125.07 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.465 ' HB3' HD23 ' A' ' 113' ' ' LEU . 42.4 t -107.25 121.36 44.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.1 t -105.29 128.01 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -147.98 178.28 8.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.96 138.22 40.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.6 mt -79.68 -29.94 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -83.67 -19.67 34.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -91.51 115.0 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.0 m -65.91 -43.52 87.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.29 -27.43 67.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.1 t -59.07 -35.92 74.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -66.29 -37.65 85.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -71.45 -32.62 68.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.54 -43.41 98.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.0 pt -73.59 -24.91 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -61.78 -43.25 99.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 169.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HB2' HE21 ' A' ' 95' ' ' GLN . 14.4 mt-30 -68.89 -40.11 79.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 177.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -54.16 -45.09 71.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -57.26 -51.98 67.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.916 -173.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -70.71 -45.16 65.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.444 ' O ' HG23 ' A' ' 103' ' ' VAL . 31.2 tt0 -65.71 -49.04 69.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -174.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.403 HG23 ' SD ' ' A' ' 72' ' ' MET . 90.7 mt -60.2 -42.55 90.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 176.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.95 -43.21 91.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.971 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -65.7 -37.49 86.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 99' ' ' GLN . 64.2 t -67.48 -43.3 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -80.74 -10.28 59.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 55.99 37.39 28.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 174.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.5 m -135.81 171.26 14.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -174.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -77.16 -179.93 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -81.98 109.63 16.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.801 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' A' ' 111' ' ' MET . 31.6 m -85.84 160.95 51.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 111.089 177.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -52.06 128.51 27.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 177.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 109' ' ' VAL . 65.0 mtt -125.2 159.18 32.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.3 t -131.55 136.65 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 163.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' A' ' 80' ' ' CYS . 82.0 mt -98.17 123.84 42.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 175.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 114' ' ' VAL . 10.7 p -125.22 126.12 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 177.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.1 142.14 17.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -97.59 170.05 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.917 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 68.04 40.77 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 53.8 t -67.38 -45.65 75.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 171.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -104.09 -14.03 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.6 mt -95.31 163.18 13.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 54.96 84.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 177.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.55 113.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.426 ' HG3' ' H ' ' A' ' 124' ' ' THR . 20.4 tpt85 -139.74 172.37 12.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.426 ' H ' ' HG3' ' A' ' 123' ' ' ARG . 61.7 p -120.54 73.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 174.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 96.5 t -118.49 118.49 58.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 173.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -70.68 126.92 30.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.1 m -63.94 -33.52 75.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.88 -39.68 93.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -67.07 -47.41 71.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.91 82.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -66.28 -45.47 80.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.13 -34.24 76.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.52 -39.3 93.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.011 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.621 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -67.18 -38.39 85.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -66.14 -29.88 70.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -174.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.1 p -64.61 -23.94 67.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -105.0 -1.14 26.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.35 28.83 67.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.621 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 90.0 mt -112.61 131.15 22.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.624 0.726 . . . . 0.0 111.115 -173.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.07 144.52 68.71 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.739 2.293 . . . . 0.0 112.266 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -115.96 120.57 39.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.1 mm -118.01 132.27 68.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -109.85 134.5 51.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.457 ' CB ' ' HA3' ' A' ' 151' ' ' GLY . 14.6 t -143.04 177.58 8.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.489 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 36.5 t -143.16 123.21 13.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.45 -20.93 49.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HG2' HG23 ' A' ' 148' ' ' THR . 86.0 tttt -55.76 -63.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 147' ' ' LYS . 62.2 p -133.19 -21.65 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.489 ' HB2' ' H ' ' A' ' 145' ' ' SER . 93.7 mtt-85 -79.0 134.62 36.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -167.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -89.64 111.02 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 165.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -110.47 -29.9 3.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.41 -41.0 91.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 111.16 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.31 -48.43 81.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.93 -35.32 80.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.18 94.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -63.54 -41.7 98.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -64.41 -40.96 96.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.5 m -66.93 -39.17 87.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 173.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.47 -46.86 81.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -173.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.26 -28.31 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.38 -41.16 94.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 172.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -68.69 -35.91 77.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.41 -42.66 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -71.77 -22.71 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -80.0 -59.95 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.807 -177.483 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.4 m -92.8 120.76 33.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.16 143.08 51.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -116.74 129.58 56.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.023 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -99.98 115.17 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -111.53 127.92 55.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.924 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.0 t -105.7 123.24 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.7 t -98.73 120.8 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.1 t -133.32 142.79 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.621 ' HA3' ' HB ' ' A' ' 81' ' ' VAL . . . 173.14 -174.39 45.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HB3' HG21 ' A' ' 14' ' ' VAL . . . -67.49 137.5 55.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.116 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.32 141.91 34.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.07 17.95 73.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.461 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.461 HG21 ' HB3' ' A' ' 11' ' ' ALA . 88.1 t -104.74 -63.79 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.118 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.37 54.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -77.13 -48.15 18.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.802 0.334 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.406 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 39.8 t -71.22 -41.33 70.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.771 171.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.88 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -171.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.61 -33.06 73.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.6 m -64.46 -42.19 96.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.43 -38.4 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.631 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.4 tp-100 -60.09 -31.42 70.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.59 -45.97 18.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 175.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.0 mm -80.04 -51.43 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -170.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -97.96 -22.88 16.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.482 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 14.7 m120 69.54 34.97 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 175.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -159.84 142.15 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -89.29 116.42 27.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.801 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.72 166.48 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -88.01 8.3 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -89.99 79.06 6.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 24.8 t80 -80.65 135.8 36.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -61.98 145.4 92.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.688 . . . . 0.0 110.896 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.89 158.45 51.12 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -40.56 -52.14 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -107.89 130.01 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -158.89 155.72 28.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -76.22 171.39 14.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.418 ' HB3' HD13 ' A' ' 56' ' ' LEU . 99.7 p -80.05 160.9 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -124.67 143.81 50.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -133.14 144.45 49.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 -171.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -150.44 142.27 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -69.96 124.4 23.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -137.28 164.97 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.41 120.13 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 172.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -125.23 121.59 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t0 57.02 35.34 26.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -174.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.67 -0.76 85.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.539 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -108.06 130.08 55.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.88 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -70.7 127.49 32.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 175.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.3 p -152.9 173.75 14.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.9 tp -105.02 120.04 40.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.5 tp -97.82 114.94 27.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -108.61 112.53 24.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.1 mt -107.31 122.23 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -172.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD13 ' HB3' ' A' ' 39' ' ' SER . 51.3 tp -110.47 124.79 52.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.986 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -86.14 150.22 24.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.1 p -88.5 164.28 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 62' ' ' GLU . . . -139.46 85.51 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.77 -117.08 9.73 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.547 176.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -85.65 -11.18 54.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.94 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 70.9 mm-40 -73.19 -9.23 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 174.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -54.38 -20.03 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -109.96 77.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -137.15 176.33 8.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.28 75.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.187 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.5 mtp -65.05 -42.34 94.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 177.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.412 ' HD3' HD21 ' A' ' 56' ' ' LEU . 1.8 mpp_? -76.22 -32.41 58.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -176.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.8 -39.56 94.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.45 -47.19 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -176.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -76.31 -46.54 27.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.985 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.1 tpt -65.13 -31.89 73.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.813 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.13 -39.28 92.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 63.4 m -80.03 -46.62 16.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.44 27.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 168.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -74.22 -46.0 44.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.76 162.59 28.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.457 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -153.39 129.17 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -175.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.5 tp -111.56 126.01 54.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.946 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 76.6 m -103.31 122.41 44.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.621 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 58.4 t -108.41 118.46 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 -174.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.19 146.55 39.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.29 151.13 21.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.423 HG13 ' HB2' ' A' ' 123' ' ' ARG . 2.5 tp -89.17 -26.08 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -177.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.4 p-10 -97.14 -38.79 9.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -173.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -84.96 99.97 11.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -59.26 -36.44 75.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.51 -24.95 67.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -58.46 -37.53 75.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.913 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -63.28 -43.2 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.95 -42.94 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.23 -40.91 94.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.73 -39.93 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -57.83 -44.03 86.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.417 HE21 ' HB2' ' A' ' 95' ' ' GLN . 17.1 mt-30 -65.06 -41.22 95.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 176.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -59.71 -38.27 81.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -57.98 -48.33 80.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.53 -33.78 74.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -65.38 -45.42 84.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.984 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.44 -42.22 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.51 -43.69 80.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.98 -37.74 84.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.895 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.99 -40.07 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -84.46 -15.95 44.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 177.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 61.76 29.35 18.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -173.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.9 t -176.7 145.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.812 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -136.13 104.95 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -136.57 75.66 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 173.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.44 130.06 6.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.681 0.753 . . . . 0.0 111.067 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.5 134.22 23.96 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.629 2.22 . . . . 0.0 112.347 172.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 23.4 ptp -135.11 154.96 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -174.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.43 ' HA ' HD13 ' A' ' 139' ' ' ILE . 9.7 p -128.18 139.98 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.7 mt -97.85 116.25 29.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.006 -173.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.9 t -126.8 125.62 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.22 144.12 16.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.543 175.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -98.76 170.01 9.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 54.36 35.37 22.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.2 m -75.01 -8.59 56.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -94.89 0.92 55.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 tp -80.62 121.64 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.17 93.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.71 86.47 4.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.04 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.423 ' HB2' HG13 ' A' ' 84' ' ' ILE . 35.7 ptt-85 -145.34 155.22 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.855 -176.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.0 p -132.97 75.02 1.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 67.9 t -124.21 115.0 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -82.15 126.93 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 174.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.2 p -62.87 -29.85 71.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.72 -36.51 84.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -66.44 -45.26 80.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.66 95.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -66.61 -46.41 75.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.38 -41.93 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.82 -41.17 83.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.06 91.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.68 -32.88 70.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 71.5 m -67.45 -34.06 76.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -103.73 -0.79 28.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.34 34.09 86.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 112' ' ' VAL . 20.4 tt -156.32 132.36 5.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.708 0.766 . . . . 0.0 111.128 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 74.2 Cg_exo -54.97 147.62 51.54 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 -178.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -84.95 132.9 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.1 mm -109.25 133.23 55.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 -172.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -107.13 129.7 54.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.415 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 14.9 t -141.97 165.85 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 176.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.436 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 27.6 t -135.85 116.21 13.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 168.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.85 -22.34 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.121 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' A' ' 148' ' ' THR . 85.8 tttt -60.0 -62.85 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -174.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 147' ' ' LYS . 77.0 p -130.17 -24.51 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.436 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 45.0 ttt85 -90.02 130.01 36.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -166.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -96.76 101.0 12.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.415 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -109.03 -8.55 27.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.74 -41.32 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -57.29 -44.3 83.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.29 -39.92 89.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.63 94.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -65.27 -42.74 92.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -62.76 -40.22 96.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.965 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 92.5 m -68.97 -40.01 79.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.78 -47.73 82.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.999 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.94 -32.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.198 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.22 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -69.96 -35.51 74.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.01 -46.55 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.94 -23.01 63.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -174.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -89.69 -50.08 6.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.962 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.2 m -89.26 127.06 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.14 140.31 53.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -115.08 130.46 56.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.937 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -112.08 104.88 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -176.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.3 tp -104.95 116.42 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.6 t -99.86 119.41 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.9 t -106.53 117.0 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.53 142.16 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.073 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.73 -166.79 36.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.95 119.24 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.141 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.09 153.01 30.33 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.86 5.84 83.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 175.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.2 t -101.79 -70.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.813 0.339 . . . . 0.0 111.154 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.54 54.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.555 170.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -70.43 -53.25 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.7 p -68.17 -32.75 73.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.791 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 29' ' ' VAL . . . -63.09 -38.25 90.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.595 HD11 ' HA3' ' A' ' 151' ' ' GLY . 36.7 tp -67.58 -41.59 83.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.8 p -68.15 -17.47 64.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.5 mm -56.23 -30.04 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 3.2 tp-100 -56.57 -39.78 74.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.86 -38.68 37.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mm -80.74 -52.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 -171.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.569 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 93.0 mm-40 -107.08 -14.99 14.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -172.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.569 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.5 m-20 80.04 36.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 172.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -158.15 165.02 36.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 171.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 22' ' ' GLN . 73.9 m-85 -104.91 128.6 53.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -177.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.503 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 30.5 m -133.16 160.0 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.053 172.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -100.27 9.97 41.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -94.18 94.12 8.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -90.02 161.22 15.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.999 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.432 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 95.4 m-20 -66.61 149.97 97.78 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.522 0.677 . . . . 0.0 110.932 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -50.25 154.01 6.31 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.626 2.218 . . . . 0.0 112.392 173.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 m -46.42 -42.02 14.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.0 mt -108.1 107.09 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.15 172.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HB3' ' HB3' ' A' ' 33' ' ' ASP . 7.3 tp10 -170.02 153.29 4.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -178.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -82.51 169.98 15.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.8 p -111.16 174.27 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -112.23 152.6 28.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -162.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp85 -129.25 150.12 50.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.856 174.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -146.83 136.65 23.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -172.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -76.43 124.24 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 173.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.6 161.88 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -171.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -107.33 123.73 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 171.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.23 118.97 56.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 55.0 34.26 22.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -176.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.11 -3.06 87.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.506 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -97.27 122.09 39.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -79.31 124.98 28.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 177.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.6 p -152.88 171.18 18.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -172.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -105.7 120.95 42.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.3 tp -97.87 111.1 23.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -102.32 112.7 25.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.1 mt -104.75 117.98 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -104.82 110.67 23.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -100.0 128.09 46.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.8 p -94.64 160.66 14.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.52 133.14 27.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.2 -115.25 7.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.467 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -108.18 16.77 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -65.29 -31.52 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.7 pm0 -60.31 -20.88 60.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -172.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -94.92 87.87 5.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 174.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.9 p -165.15 163.08 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.53 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mmm -64.03 -37.11 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -79.84 -36.07 37.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.07 -39.3 71.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -55.52 -44.35 76.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -74.22 -35.56 63.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.0 mmm -66.27 -25.8 67.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -60.93 -33.36 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.6 m -87.04 -50.02 6.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.594 ' HA3' HG22 ' A' ' 109' ' ' VAL . . . 73.6 39.71 48.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 166.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -61.65 -57.58 11.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.18 158.33 27.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 176.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -143.55 127.79 17.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.5 tp -110.43 121.02 44.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.964 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.0 t -105.59 115.86 30.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 178.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.57 123.67 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -170.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -110.6 152.84 25.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.7 135.87 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 164.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.5 pt -87.48 -13.83 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -170.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -94.87 -38.89 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 -177.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -88.3 103.62 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.4 m -58.93 -37.55 76.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.27 -27.41 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -174.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.1 m -60.56 -38.46 84.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -63.32 -43.69 97.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.815 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.29 -43.46 70.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.68 -42.25 95.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.0 -40.11 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -56.87 -43.92 81.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -64.96 -41.95 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -57.05 -40.93 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -62.67 -43.13 99.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.864 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.02 -38.77 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -65.9 -46.4 78.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.22 -41.58 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.92 -41.76 83.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.72 -35.12 79.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.39 -40.06 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -88.39 -12.86 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 62.29 25.64 15.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -175.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.2 t -179.1 147.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -121.93 110.76 16.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 171.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -129.96 36.26 4.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 171.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.594 HG22 ' HA3' ' A' ' 75' ' ' GLY . 80.8 t -119.41 121.52 30.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.697 0.761 . . . . 0.0 111.086 -174.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -68.64 136.61 36.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 27.8 ptm -138.83 153.47 48.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.1 t -125.02 136.27 61.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.45 HD13 ' HG ' ' A' ' 133' ' ' LEU . 31.5 mt -95.2 114.57 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -174.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.3 t -129.56 129.82 66.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.81 151.23 18.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 170.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -100.02 170.09 8.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 58.12 45.09 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 174.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.2 p -67.17 -17.58 64.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.914 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -93.44 0.63 56.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.1 tp -85.08 119.77 25.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.14 89.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.066 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.22 119.43 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -165.84 153.5 10.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.4 p -135.05 70.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.9 t -124.58 119.77 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -78.76 132.84 37.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.8 p -63.56 -31.86 73.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.97 -37.47 87.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.405 ' HB2' HE21 ' A' ' 129' ' ' GLN . 21.5 mt-30 -66.92 -42.78 84.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 175.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.0 94.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -65.11 -49.78 68.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.08 -35.31 79.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.45 ' HG ' HD13 ' A' ' 113' ' ' LEU . 55.1 tp -62.79 -46.03 89.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.21 94.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.21 -31.7 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 96.0 p -67.67 -29.9 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.783 -176.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -109.49 -1.12 18.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -178.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.51 29.06 71.72 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.407 175.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 139' ' ' ILE . 4.3 tp -149.98 126.76 5.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.7 0.762 . . . . 0.0 111.122 -176.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 72.6 Cg_exo -54.83 145.01 63.69 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.287 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -94.6 125.82 39.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 48.1 pt -120.23 148.64 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.115 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -106.28 128.61 54.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 30.4 p -134.4 178.84 6.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.208 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.443 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 46.4 t -138.5 122.11 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 173.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.91 63.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.161 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -73.91 -52.15 13.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -166.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 66.6 p -129.38 -27.78 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.2 -171.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.443 ' HB2' ' H ' ' A' ' 145' ' ' SER . 40.0 mmt180 -88.24 151.26 22.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -164.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 116.42 10.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 176.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.595 ' HA3' HD11 ' A' ' 19' ' ' LEU . . . -125.58 -98.23 1.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 -172.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.455 ' HB ' ' HG ' ' A' ' 19' ' ' LEU . 13.3 p -53.55 -30.27 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 -173.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -56.26 -47.59 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.55 -41.67 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.52 93.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.89 -37.32 84.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -59.87 -40.94 90.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.3 m -62.03 -42.85 99.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.32 -46.39 83.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -176.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 32.7 m -73.25 -28.03 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.45 -39.66 94.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.84 -39.95 83.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.34 -45.89 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -70.51 -41.72 72.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.819 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -74.73 -35.03 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 174.746 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.4 m -92.46 123.59 35.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -125.61 145.03 50.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.845 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -118.54 111.54 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.001 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.14 100.11 12.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.1 tp -107.53 119.76 40.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.7 t -98.58 118.99 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.15 125.05 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.1 m -134.18 156.25 40.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.468 ' HA3' ' HB ' ' A' ' 81' ' ' VAL . . . -172.76 -177.1 41.86 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.66 136.91 50.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.094 -173.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.79 93.84 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.42 11.55 3.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 172.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -92.13 -65.96 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.04 72.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.491 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -73.96 -49.97 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 -170.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -65.11 -40.02 93.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.04 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.48 -38.07 88.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.438 ' HB ' HG21 ' A' ' 55' ' ' ILE . 76.0 p -65.15 -26.51 68.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -176.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.34 -27.88 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.504 ' HG3' ' HB2' ' A' ' 153' ' ' GLU . 34.3 tp60 -56.23 -32.76 64.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.39 -42.76 29.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mm -80.03 -56.82 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -166.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -113.15 -5.08 13.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 14.1 m120 68.36 48.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 175.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -159.97 147.46 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -176.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -103.99 120.89 42.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 173.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.03 154.28 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 -168.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -98.19 -21.14 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -81.05 82.69 6.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -73.38 142.15 46.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -169.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -69.85 153.58 95.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -60.4 156.47 40.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.7 m -45.66 -45.02 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.911 -174.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -101.02 126.87 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 175.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -159.55 154.85 25.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -75.28 170.03 16.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.6 p -83.45 170.2 14.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -122.05 145.63 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.86 147.24 51.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -150.95 134.62 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -73.9 124.95 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 53' ' ' LEU . 32.6 m -137.61 166.06 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 -175.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -107.69 122.57 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 171.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 87.8 mt -127.12 127.15 69.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 89.9 m-20 64.63 22.64 12.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -175.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.44 0.76 89.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -108.98 131.27 55.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.91 0.386 . . . . 0.0 110.85 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.4 m -68.6 129.22 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.196 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 p -153.76 174.95 13.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.1 tp -106.57 123.74 48.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' HB2' HG21 ' A' ' 44' ' ' VAL . 57.7 tp -94.24 118.07 31.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -108.12 116.4 31.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.438 HG21 ' HB ' ' A' ' 20' ' ' THR . 42.7 mm -100.77 117.85 46.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.486 ' C ' HD13 ' A' ' 56' ' ' LEU . 3.3 tm? -100.01 115.46 29.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -102.69 132.6 48.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 174.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 p -80.79 158.0 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -144.78 86.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.26 -110.98 3.78 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -96.08 2.12 53.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -62.97 -32.08 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -59.42 -21.03 59.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -97.46 77.82 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.027 174.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -151.38 165.46 34.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.53 -32.44 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.7 mtp -64.37 -42.84 95.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -79.98 -24.25 41.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.35 -36.52 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -65.12 -43.44 91.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -63.85 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.6 tpp -68.46 -34.16 75.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.896 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -60.35 -36.3 77.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -175.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -87.5 -53.31 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.212 173.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.31 29.98 75.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.479 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -44.06 -48.98 8.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -170.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.75 154.42 25.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.452 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -130.09 132.42 46.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.915 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 57.9 tp -110.18 126.41 54.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.7 m -105.63 124.4 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.468 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 95.6 t -106.71 134.12 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.452 ' HB2' HD11 ' A' ' 113' ' ' LEU . 92.9 t80 -123.22 138.76 54.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.81 134.17 42.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 175.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.1 tp -79.67 -20.05 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -98.87 -36.23 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -82.71 101.36 10.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.2 m -57.89 -36.37 72.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.17 -26.21 60.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.9 t -52.52 -37.42 57.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -175.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -59.58 -42.92 93.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.57 -37.02 86.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 87.1 m-20 -64.08 -48.65 75.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.9 pt -72.66 -25.61 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.6 -50.24 72.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 8.4 pt20 -70.09 -30.18 67.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -59.8 -45.4 92.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -62.27 -46.2 89.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.44 -38.82 88.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.51 -47.24 79.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.5 mt -56.15 -43.52 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.216 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.03 -45.12 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -65.61 -39.02 91.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -171.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.85 -39.6 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -95.85 -7.3 37.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 60.51 30.45 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 t -174.98 143.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -174.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -135.99 110.59 8.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 173.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -135.35 48.34 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 168.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.87 120.38 19.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 111.141 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.0 131.79 48.51 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 65.5 mtt -121.87 153.81 37.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.6 134.4 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 82' ' ' PHE . 37.9 tp -103.64 125.04 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 178.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 114' ' ' VAL . 8.5 p -119.33 125.02 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.06 137.42 13.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.555 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -94.69 156.74 16.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 99.4 mttt 46.49 50.8 12.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.5 p -68.94 -17.48 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -91.89 -3.85 55.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.506 ' HB2' ' HB3' ' A' ' 117' ' ' LYS . 55.7 tp -65.13 130.43 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -89.63 -34.29 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.003 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.26 85.37 7.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.081 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -159.98 173.18 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 -175.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.2 p -125.09 24.37 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.136 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.39 133.52 52.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -85.41 129.6 34.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 167.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.5 p -62.21 -28.74 69.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -175.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.85 -38.34 90.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.934 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -68.73 -43.34 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.48 -34.92 73.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 177.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -64.74 -45.27 87.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -63.36 -33.74 76.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.86 -36.65 80.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.949 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.04 77.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 172.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.27 -32.48 73.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.5 p -67.62 -22.52 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.402 ' HB2' HG12 ' A' ' 139' ' ' ILE . 77.9 m-85 -99.18 -4.03 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.85 26.9 65.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.42 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.402 HG12 ' HB2' ' A' ' 137' ' ' TYR . 43.2 pt -125.17 153.4 71.66 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.68 0.752 . . . . 0.0 111.034 -174.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.29 151.67 54.66 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -118.77 129.39 55.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 73.0 mt -117.88 134.89 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.05 115.51 27.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 41.7 p -135.22 -179.78 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -154.04 118.16 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.809 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.09 -22.89 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.066 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -71.63 -50.87 26.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -171.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 80.7 p -125.12 -20.85 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 -171.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -105.72 172.34 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -170.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.82 132.59 33.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 166.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -115.23 -82.52 1.03 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -173.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.46 -39.95 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 111.119 -176.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.504 ' HB2' ' HG3' ' A' ' 22' ' ' GLN . 88.5 tt0 -56.87 -45.16 82.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -66.97 -41.93 86.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.66 85.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.33 -40.26 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -61.46 -40.11 93.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 98.1 m -66.96 -40.57 87.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.102 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.5 mt -59.33 -45.44 91.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.22 -45.03 99.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.05 -47.21 83.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -79.3 -48.0 14.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -174.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.0 -46.58 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 -172.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -71.59 -24.58 61.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -80.0 -60.01 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -177.566 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.889 0.376 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -96.96 117.93 32.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -142.62 120.44 11.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -119.74 142.33 48.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 175.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -103.64 112.21 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mp -116.55 132.48 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.703 HG21 ' HB3' ' A' ' 71' ' ' TYR . 53.0 t -119.41 132.5 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 178.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.9 t -98.26 119.91 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.64 165.71 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.4 -173.43 41.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.419 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.01 145.1 54.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 111.036 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.45 130.69 40.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.68 -21.46 40.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 175.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.63 -69.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 111.042 -172.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.94 69.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.444 174.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -50.01 12.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.7 m -72.77 -29.89 63.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.91 -39.2 68.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 tp -69.62 -45.33 68.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.9 p -65.76 -30.98 71.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.1 mm -75.95 -37.99 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 172.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 28.5 tp60 -63.99 -38.11 89.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.973 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.3 -48.19 20.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -88.58 -46.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -170.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -101.1 -9.12 21.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -174.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 96.3 m-20 68.65 34.27 3.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -135.67 149.42 49.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -112.96 105.3 13.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 174.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.22 160.6 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.198 -171.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -95.31 9.39 40.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -82.01 81.38 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -75.25 150.04 38.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.004 -170.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -75.6 151.01 84.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.83 -169.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.9 163.43 33.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.395 175.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.525 ' HB3' ' HA3' ' A' ' 60' ' ' GLY . 92.5 p -65.41 -15.09 62.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.81 129.9 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.184 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -48.67 110.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -133.73 74.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.7 p -78.61 158.86 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -127.03 159.84 32.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.91 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -123.96 138.13 54.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -141.27 132.72 26.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -172.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -108.79 130.13 55.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 175.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.06 159.36 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -173.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -109.76 123.21 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.2 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -126.31 113.87 35.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.31 34.31 17.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.09 -0.06 88.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -96.05 134.34 39.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.855 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.8 m -83.31 122.46 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.181 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.0 m -128.46 141.24 51.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -177.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.4 tp -115.41 129.51 56.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.897 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 pp -137.22 149.87 47.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -102.23 133.85 46.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.4 mt -105.62 120.2 56.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.501 ' HB2' HG22 ' A' ' 7' ' ' VAL . 80.0 mt -103.89 125.67 50.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 176.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -92.39 163.36 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -177.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.8 m -111.47 130.56 55.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -170.3 141.14 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.525 ' HA3' ' HB3' ' A' ' 35' ' ' SER . . . 79.17 29.51 50.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 169.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -167.46 149.29 5.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.343 . . . . 0.0 110.843 175.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -75.38 -44.72 43.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.39 -60.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -171.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -169.09 142.75 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.985 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 t -99.87 -162.62 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 168.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.31 -34.95 77.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.7 mtp -65.01 -42.55 94.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.3 -22.3 30.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -174.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.35 -27.16 69.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -62.33 -51.38 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -174.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.703 ' HB3' HG21 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -68.06 -27.02 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -177.572 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.1 mtp -64.49 -37.42 87.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 172.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -69.68 -43.04 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.9 p -94.73 -54.06 3.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -171.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.453 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 81.73 23.27 58.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -176.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.57 -44.5 93.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.985 0.421 . . . . 0.0 110.887 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.02 145.13 4.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -155.73 152.35 28.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.419 . . . . 0.0 110.827 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.0 tp -102.1 128.54 48.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 -176.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.49 113.55 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.1 m -114.91 138.53 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -140.95 161.54 37.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.76 132.23 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.6 tp -74.86 -19.89 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.15 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -91.5 -17.92 24.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -175.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -91.86 113.55 25.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.9 m -68.42 -44.38 75.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.65 -34.72 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -173.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.9 m -61.51 -38.84 88.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.004 0.43 . . . . 0.0 110.847 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -60.28 -41.5 93.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -71.16 -38.68 72.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.19 -40.63 94.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.833 -171.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.7 pt -67.37 -32.42 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -65.91 -48.8 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 174.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.424 HE21 ' HB2' ' A' ' 95' ' ' GLN . 16.8 mt-30 -63.22 -43.05 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.49 -48.75 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -60.73 -45.02 95.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.904 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.95 -35.96 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -68.8 -52.62 28.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -175.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.1 pt -62.36 -31.67 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.68 -44.54 96.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.27 -36.83 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.01 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -94.98 2.16 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 47.95 45.07 19.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.7 m -113.49 161.27 17.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -170.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -85.3 -175.13 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -70.41 119.86 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.453 HG11 ' HA3' ' A' ' 75' ' ' GLY . 30.9 m -112.49 158.94 35.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.089 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -54.45 128.44 30.15 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 -177.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 66.1 ttp -152.1 152.07 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.9 t -124.89 131.19 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.131 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.4 tp -105.23 122.12 45.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -174.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.3 128.49 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 -173.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.24 133.59 11.37 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.5 170.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -95.38 175.07 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 -173.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 47.15 47.42 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 173.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 25.3 p -73.48 -7.83 53.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -96.69 -7.06 35.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 175.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.6 tp -74.84 128.43 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.52 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.92 88.17 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -128.32 169.12 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 10.9 t -84.4 -166.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 168.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.8 p -40.05 136.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.17 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -52.77 153.65 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -163.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.5 p -63.04 -18.2 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -60.27 -33.95 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.93 -39.8 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.85 78.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -61.6 -47.01 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.54 -35.88 80.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.93 -43.72 91.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 176.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.31 86.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 175.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.43 -37.37 86.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.3 p -66.67 -23.59 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.453 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.8 m-30 -93.19 -6.88 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 178.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.26 28.79 67.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.515 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.462 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 46.0 pt -127.41 160.06 62.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 111.093 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 77.6 Cg_endo -72.58 150.79 51.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.365 175.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -116.48 134.08 55.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 42.8 mm -109.84 128.28 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -106.28 122.7 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 171.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.573 HG21 ' HA3' ' A' ' 151' ' ' GLY . 14.6 t -143.52 176.12 9.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.05 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 24.7 t -122.21 117.37 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 172.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.05 -26.88 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -176.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -89.53 -52.43 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -174.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 77.3 p -106.21 -19.38 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 -162.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.47 ' HB2' ' H ' ' A' ' 145' ' ' SER . 88.1 mtt-85 -119.77 160.63 22.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 -171.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -89.95 111.06 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 170.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.573 ' HA3' HG21 ' A' ' 144' ' ' THR . . . -111.08 -74.58 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 -172.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.73 -32.37 42.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 111.174 -169.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.08 -46.78 87.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -69.2 -35.48 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.61 91.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.79 -42.45 97.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -61.39 -38.97 88.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 177.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.4 m -65.13 -43.81 90.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.129 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.77 -48.81 78.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.927 -174.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.36 -34.94 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.049 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.84 -42.0 95.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -68.83 -36.83 78.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -66.93 -44.4 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.031 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -66.86 -33.41 75.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -76.25 -59.85 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -178.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.1 m -100.55 127.79 46.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -111.86 133.85 53.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -122.42 143.72 49.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 173.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.92 109.4 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -106.74 119.08 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -175.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.0 t -118.16 118.8 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -96.56 126.59 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -175.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 m -129.35 164.56 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.202 -170.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 81' ' ' VAL . . . 145.72 -174.44 25.7 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.23 141.52 54.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.063 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.09 134.23 36.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.474 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.53 -1.36 64.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 175.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.4 t -86.88 -64.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.102 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.01 66.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -48.35 14.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 168.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -66.13 -31.88 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.796 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.15 -39.12 63.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 -170.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.97 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.906 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -60.98 -39.97 91.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.43 -42.43 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 1.5 tm0? -65.12 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.83 -49.87 34.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.1 mm -83.03 -41.82 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 -171.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -109.94 -27.77 9.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.998 -172.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER 70.11 40.62 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.31 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -129.82 157.22 42.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -110.93 100.16 8.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.8 m -135.17 165.9 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -95.05 10.01 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.56 79.07 9.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -82.15 159.62 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -170.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -64.58 149.62 95.15 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.727 . . . . 0.0 110.807 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.81 159.47 51.29 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 176.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -64.94 -15.09 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.23 129.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.97 108.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -142.83 98.09 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.7 p -80.93 154.98 26.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -128.6 161.23 30.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.97 143.26 50.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -147.82 130.01 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -94.47 127.0 40.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 174.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -136.82 164.88 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -99.51 119.7 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 174.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.4 mt -126.18 123.63 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t0 60.51 31.14 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -176.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.4 -0.37 89.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -109.96 128.96 55.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.944 0.402 . . . . 0.0 110.799 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.3 m -74.48 128.56 35.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.16 167.83 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.2 tp -112.68 134.61 54.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.878 ' O ' HD12 ' A' ' 53' ' ' LEU . 2.8 pp -124.6 145.33 49.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 177.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -98.0 135.66 39.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 177.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.0 mt -105.91 115.05 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 -172.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.6 mt -120.15 116.51 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -94.2 133.15 38.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.4 p -112.21 157.56 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.99 138.41 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.94 51.6 18.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 167.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -116.09 147.43 41.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.18 -53.13 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -119.95 -55.78 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -168.51 149.14 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.7 p -86.62 175.94 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.9 -32.72 73.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 168.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 67.6 mtt -68.13 -41.79 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.75 -35.47 78.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -61.38 -34.54 75.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -62.58 -50.82 69.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -175.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -72.53 -27.01 61.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -177.356 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 86.3 mtp -65.28 -39.28 92.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 170.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -72.26 -39.73 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.888 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -90.45 -55.11 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.097 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.73 24.76 37.45 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.428 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -67.99 -41.03 82.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.97 0.414 . . . . 0.0 110.79 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.1 157.12 8.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.549 174.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -153.58 149.82 28.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.3 tp -104.21 127.91 51.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.0 t -111.55 115.67 29.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.449 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 21.4 m -114.6 143.43 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -141.07 163.51 32.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.54 130.78 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.607 ' O ' HG22 ' A' ' 124' ' ' THR . 8.8 tp -69.89 -17.04 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -174.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -91.54 -15.67 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -86.19 116.85 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.1 m -67.67 -41.26 84.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.096 -178.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -75.19 -28.08 59.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.857 -167.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -63.15 -57.69 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -164.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -68.9 -27.89 66.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.935 -175.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.55 -43.77 75.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.89 -35.07 77.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.89 -39.94 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -54.71 -45.23 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.411 ' HB2' HE21 ' A' ' 95' ' ' GLN . 14.9 mt-30 -65.3 -43.17 91.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 177.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -60.31 -39.59 87.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -59.99 -47.26 86.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -69.71 -36.31 75.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.65 -53.64 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -172.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.2 pt -63.46 -31.84 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.045 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.72 -45.68 91.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 176.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -71.28 -37.47 71.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.7 t -63.13 -40.22 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -94.96 0.73 54.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 49.17 44.92 23.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.856 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.3 m -120.03 171.52 8.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -170.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -84.57 -175.85 5.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.83 139.68 55.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.64 156.49 61.42 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 111.113 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -55.14 121.05 9.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.285 -175.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.3 ttt -145.63 142.35 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.1 t -129.35 133.78 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 169.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -102.98 118.41 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.7 t -122.46 128.02 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -174.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.22 143.17 15.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 171.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -92.58 174.03 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.883 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.493 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 98.2 mttt 55.9 64.84 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 170.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.25 -15.07 60.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -101.37 4.68 41.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 117' ' ' LYS . 55.4 tp -75.54 132.71 40.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.89 -36.92 18.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.58 75.75 10.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -117.44 171.68 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 84' ' ' ILE . 14.5 t -80.06 -167.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.212 175.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 79.5 t -43.29 141.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.147 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -47.01 150.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 -166.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.8 p -62.26 -18.91 62.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.38 -31.6 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.47 -47.88 79.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.24 -34.89 78.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.02 -42.72 99.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -68.92 -36.01 77.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 133' ' ' LEU . 0.6 OUTLIER -65.46 -36.83 85.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 175.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.39 -36.13 78.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 170.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -65.08 -33.81 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 56.6 p -64.23 -24.85 67.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -175.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -106.43 -0.07 24.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.6 33.62 67.27 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.409 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 46.8 pt -112.45 148.88 40.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 0.0 111.126 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 51.9 Cg_exo -58.66 142.64 98.65 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -123.67 130.02 52.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 88.1 mt -123.53 126.7 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -101.95 110.34 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 171.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.2 t -151.43 -174.46 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 -172.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 74.5 m -129.92 124.92 34.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 171.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.51 -30.88 71.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -87.01 -49.31 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -170.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.1 p -107.08 -15.7 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.126 -164.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.404 ' HB2' ' H ' ' A' ' 145' ' ' SER . 36.1 mmt180 -116.5 158.54 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -74.01 91.27 2.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 173.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -111.11 -74.99 0.77 Allowed Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.455 -171.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.8 m -60.09 -30.77 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 0.0 111.099 -168.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.76 -49.8 76.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.84 -35.66 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.85 95.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -65.05 -39.75 93.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -62.02 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.7 p -71.65 -30.83 66.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 53.7 tp -64.48 -42.63 95.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.8 t -61.59 -40.08 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.044 174.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.04 -38.36 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -69.37 -38.57 78.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.27 -45.01 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -68.03 -25.57 65.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -75.39 -48.06 24.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.965 175.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.7 mtm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.893 0.377 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -81.35 129.72 34.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -87.22 127.43 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.646 ' OH ' ' HA3' ' A' ' 77' ' ' GLY . 63.1 t80 -117.15 127.78 54.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -94.83 99.86 11.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.438 HD23 HG12 ' A' ' 55' ' ' ILE . 64.1 tp -102.92 117.64 35.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -176.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.09 131.47 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -78.83 125.03 38.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.39 139.91 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' A' ' 81' ' ' VAL . . . 128.36 166.03 11.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.445 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.21 146.19 28.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.81 0.338 . . . . 0.0 111.114 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.97 -163.52 34.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.27 -4.74 25.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.91 -62.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.949 0.405 . . . . 0.0 111.221 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.03 70.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.31 -34.22 77.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 t -61.71 -43.01 99.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 177.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.43 ' HB2' ' CD2' ' A' ' 32' ' ' TYR . . . -57.77 -42.99 85.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.111 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.402 HD22 ' HB ' ' A' ' 152' ' ' VAL . 93.0 mt -63.78 -41.9 97.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -176.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.9 p -73.88 -34.26 64.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.0 mt -66.6 -42.75 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 25.2 mt-30 -65.25 -32.47 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -62.45 -50.32 71.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.401 HG13 ' HG2' ' A' ' 25' ' ' GLN . 50.0 pt -80.03 -20.02 12.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -172.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.5 mm-40 -100.67 -27.64 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 65.01 31.99 10.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.424 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 98.4 m-70 -129.26 175.26 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -99.04 118.38 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.8 t -126.4 125.66 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 -167.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -104.05 -29.45 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.08 85.3 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.43 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 41.7 p90 -101.03 170.44 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -174.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -71.85 151.43 93.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.598 0.713 . . . . 0.0 110.922 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 36' ' ' ILE . 37.2 Cg_endo -61.59 156.45 47.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.393 176.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 t -63.3 77.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' PRO . 48.4 pt -134.09 162.06 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.29 103.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 175.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -155.04 102.0 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -176.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -90.35 153.44 20.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -126.03 143.22 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.88 142.92 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -140.28 131.29 26.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -78.6 124.43 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.7 t -136.62 146.94 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -98.78 124.13 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 171.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.416 HG12 HG13 ' A' ' 160' ' ' VAL . 77.5 mt -123.97 118.56 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.13 30.29 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.71 -4.38 84.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.505 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.58 123.47 44.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.929 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -74.18 127.54 33.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.231 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 p -145.85 167.7 22.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.913 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -114.86 119.69 37.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.9 mp -94.11 118.83 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -99.37 117.72 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.438 HG12 HD23 ' A' ' 6' ' ' LEU . 82.2 mt -89.02 118.69 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 -177.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 71' ' ' TYR . 40.0 mt -101.74 114.96 29.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -165.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -97.64 154.43 17.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.3 t -76.55 151.66 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -146.46 139.61 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.2 -102.69 1.49 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -75.46 158.33 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 111.002 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.06 -44.93 75.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -100.5 -29.96 12.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -173.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.34 129.52 47.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -175.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.557 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 27.5 t -160.76 138.77 9.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.84 -31.42 72.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 170.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 62.5 tpp -79.96 -44.56 20.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.789 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.557 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 77.6 ttt-85 -91.18 -62.37 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -172.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.76 -49.1 67.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -169.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -54.04 -42.44 69.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.943 -176.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.452 ' HB2' HD13 ' A' ' 56' ' ' LEU . 68.1 m-85 -78.84 -34.84 44.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.866 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 58.5 ttp -56.51 -30.74 63.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -59.83 -28.05 67.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -177.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.6 m -69.88 -42.25 73.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.53 31.69 26.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 170.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.4 -59.5 5.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.646 ' HA3' ' OH ' ' A' ' 4' ' ' TYR . . . -171.67 170.32 43.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 174.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -149.89 148.14 28.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 110.877 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.96 126.7 54.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.7 m -91.06 111.65 23.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -172.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.487 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 92.7 t -117.66 132.31 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -102.87 134.77 45.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -175.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.76 145.51 47.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.7 mt -73.64 -32.0 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -167.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -109.97 -29.9 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -174.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -80.3 99.85 8.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -171.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.9 m -61.27 -36.83 81.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.89 -18.72 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -54.02 -35.97 62.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -56.02 -44.44 78.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -68.07 -44.73 75.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.6 -35.94 82.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.77 -44.22 99.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 137' ' ' TYR . 81.6 t60 -60.0 -47.1 87.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 176.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' A' ' 95' ' ' GLN . 17.7 mt-30 -62.84 -44.15 96.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.999 -177.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -62.44 -37.79 87.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -62.4 -42.55 99.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 175.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -65.15 -38.13 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -66.52 -45.28 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.407 ' HA ' HG22 ' A' ' 103' ' ' VAL . 93.6 mt -62.45 -39.89 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.071 175.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -56.02 -39.0 71.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -68.78 -52.57 28.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.407 HG22 ' HA ' ' A' ' 100' ' ' ILE . 26.7 m -74.95 -24.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -167.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -72.44 -17.31 61.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -171.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 43.1 44.7 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 172.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.5 p -157.27 -178.85 7.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -71.93 166.05 22.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -84.78 134.7 34.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -174.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.8 t -110.66 130.07 23.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.62 134.58 41.63 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.409 -178.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 26.2 mmt -129.93 154.44 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -176.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.8 t -127.63 132.31 69.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.102 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.2 tp -97.79 122.18 40.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.983 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.34 129.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -119.07 167.67 13.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.442 174.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 144' ' ' THR . 71.7 m-80 -106.5 156.74 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.889 0.376 . . . . 0.0 110.913 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -117.84 -58.2 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.8 m -91.28 4.2 52.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.897 -169.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -86.04 -10.2 55.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -176.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.3 tp -152.97 130.4 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.86 79.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.42 96.94 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 176.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 92.4 mtm180 -100.37 149.94 23.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -175.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.8 t -81.78 -168.67 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 33.6 m -58.52 160.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 -178.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 7.8 tp10 -47.82 147.84 1.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.7 p -64.86 -26.57 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -172.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.402 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.8 mtt180 -63.12 -44.37 95.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 177.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -75.32 -41.11 57.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.78 80.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -61.23 -49.06 78.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.95 -36.15 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.95 -44.97 94.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.4 93.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.87 -34.42 78.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 77.8 p -67.02 -22.43 65.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.603 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 45.8 m-85 -101.14 5.08 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.17 12.28 57.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 165.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.5 mt -129.87 129.98 23.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.71 0.766 . . . . 0.0 111.078 -176.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.78 148.29 76.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -121.7 129.97 53.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -171.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 92.9 mt -123.5 134.93 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -104.44 128.78 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 14.6 t -143.75 -170.35 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.102 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.3 t -134.91 107.6 7.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 169.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.59 -24.88 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -169.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.16 -38.78 20.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -171.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.9 p -109.52 -19.0 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -170.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -136.75 179.09 6.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -177.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -65.16 115.74 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 174.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -129.54 -104.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -173.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.402 ' HB ' HD22 ' A' ' 19' ' ' LEU . 11.6 p -56.21 -29.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.805 0.336 . . . . 0.0 111.15 -176.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.6 -43.35 80.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -67.62 -40.3 84.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.8 96.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -67.32 -45.29 76.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -68.44 -36.92 79.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 59.9 m -62.37 -42.75 99.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 174.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.37 -46.29 83.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 46' ' ' ILE . 55.5 t -59.56 -41.45 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 177.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.27 -38.69 92.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -69.4 -35.73 76.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -65.73 -48.33 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.171 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -69.65 -22.83 63.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -75.82 -59.93 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 178.282 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 ttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 99.5 m -88.59 121.02 30.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -100.1 132.25 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.702 ' OH ' ' HA3' ' A' ' 77' ' ' GLY . 82.2 t80 -127.98 129.91 47.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -95.0 113.6 25.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -108.33 118.01 35.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.96 134.52 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.049 -176.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.79 121.21 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.5 t -135.04 145.89 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.09 -157.27 22.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.531 173.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.86 144.97 43.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 -176.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.04 -178.38 29.09 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.73 -44.42 1.84 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.413 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.13 -58.19 8.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.88 0.371 . . . . 0.0 111.155 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA3' ' HB3' ' A' ' 18' ' ' ALA . . . 164.99 72.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.478 174.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -57.12 -47.88 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.931 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -75.83 -36.66 59.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.469 ' HB3' ' HA3' ' A' ' 15' ' ' GLY . . . -62.92 -41.82 99.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -174.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.23 -36.57 79.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.4 m -61.09 -43.13 99.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 171.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.72 -40.0 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 176.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -62.95 -36.89 84.95 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -64.98 -50.02 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.66 HG13 ' HG2' ' A' ' 25' ' ' GLN . 38.9 pt -87.97 -21.18 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.155 -166.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.66 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.2 mm-40 -114.06 -17.58 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.0 m-20 70.15 20.12 6.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 -175.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -137.39 141.9 41.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -98.94 121.07 40.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.53 124.95 69.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.08 -174.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.97 -38.21 76.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -90.02 79.93 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -94.79 168.14 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -172.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -70.66 146.39 93.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -170.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.93 157.07 63.41 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -64.28 76.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 pt -124.94 159.46 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.163 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.1 99.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -159.63 100.25 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -176.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.1 p -81.76 152.42 27.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -125.1 145.0 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -122.56 140.32 52.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -175.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -146.68 124.25 11.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 173.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -78.21 124.13 27.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.504 HG23 ' SG ' ' A' ' 51' ' ' CYS . 27.2 m -136.81 163.31 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.1 t -116.19 129.55 72.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.8 mt -123.53 119.51 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t0 55.72 35.12 24.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -177.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.2 -0.04 88.18 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -102.16 130.41 48.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.941 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.0 m -71.93 127.13 31.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.504 ' SG ' HG23 ' A' ' 44' ' ' VAL . 26.8 p -147.04 165.1 30.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.8 tp -113.06 126.95 56.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.1 tp -91.99 111.09 22.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -105.0 108.95 20.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.8 mt -96.29 124.9 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.5 mt -116.17 111.92 20.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -170.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -94.01 161.72 14.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -72.82 150.02 43.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.12 128.88 48.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.02 -106.31 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -85.04 159.13 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.656 0.265 . . . . 0.0 110.991 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.11 -49.07 71.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -172.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -98.1 -38.9 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -174.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -96.68 110.3 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.926 -174.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.779 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 40.1 t -156.29 139.96 16.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -175.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.33 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 169.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ttt -77.09 -51.17 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.779 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 78.0 ttt-85 -63.58 -50.01 71.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -173.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -72.05 -35.01 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -170.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -64.96 -48.3 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -74.67 -32.08 62.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.957 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.9 mtp -64.57 -34.77 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 170.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -65.07 -32.73 74.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.9 m -67.98 -47.17 69.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.79 24.72 61.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 165.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -54.43 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.702 ' HA3' ' OH ' ' A' ' 4' ' ' TYR . . . -174.07 161.7 32.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 174.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -149.95 146.82 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.891 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.1 tp -107.06 127.65 53.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 113' ' ' LEU . 73.5 m -92.2 130.91 37.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -171.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.84 130.45 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 113' ' ' LEU . 53.9 t80 -111.5 136.87 50.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.04 149.37 39.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.053 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' A' ' 120' ' ' LEU . 95.7 mt -69.3 -36.9 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -168.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.05 -29.96 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -80.75 100.03 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -171.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.4 m -61.24 -36.79 80.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.49 -20.59 64.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -174.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 m -55.98 -32.24 63.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -55.09 -44.26 74.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.75 -43.02 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.32 -38.53 91.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.5 mt -66.07 -40.51 87.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 177.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -58.38 -44.19 88.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.795 174.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -62.18 -41.47 98.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -58.28 -42.64 87.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 176.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -63.61 -43.81 95.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.85 -37.52 87.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -67.53 -47.13 70.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.424 ' HA ' HG22 ' A' ' 103' ' ' VAL . 93.5 mt -59.97 -40.88 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 175.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 88.6 tttt -56.65 -39.23 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -176.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -70.75 -51.17 28.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 100' ' ' ILE . 32.5 m -74.93 -24.26 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -167.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.402 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 58.2 pttt -73.0 -17.33 61.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -172.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 42.57 44.54 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 173.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.1 p -155.43 -177.33 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 47.8 p30 -79.96 -176.43 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.897 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -65.64 139.95 58.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -174.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.41 156.51 48.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -65.9 126.42 15.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.617 2.212 . . . . 0.0 112.372 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 66.5 mtm -135.03 135.02 41.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.64 137.13 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 172.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.488 ' HB2' HD12 ' A' ' 139' ' ' ILE . 59.3 tp -103.77 127.1 51.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.5 p -118.49 134.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.36 157.0 27.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.53 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 144' ' ' THR . 70.8 m-80 -106.1 157.78 17.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 -176.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -130.06 -51.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.4 m -86.83 6.26 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -170.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -86.46 -15.17 41.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.426 ' HB3' HG21 ' A' ' 84' ' ' ILE . 58.3 tp -153.53 130.52 11.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -177.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.42 77.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.91 104.34 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 172.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -118.13 159.79 22.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -170.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.3 t -80.16 -169.76 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.11 163.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -43.85 148.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -175.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.9 m -60.08 -38.72 83.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 -172.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.45 -42.81 98.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -70.85 -42.13 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.9 94.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.401 ' HB3' HE21 ' A' ' 131' ' ' GLN . 5.5 tt0 -63.69 -45.4 90.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.986 176.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.82 -36.03 78.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.18 -45.02 95.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.97 -44.29 89.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -66.23 -37.71 86.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -175.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.0 p -68.11 -23.48 64.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -93.89 -2.14 53.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.24 13.07 27.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 163.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 113' ' ' LEU . 22.9 pt -136.73 142.91 40.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 111.084 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.85 144.2 21.53 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.402 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -111.89 129.1 56.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.913 -173.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 87.2 mt -119.96 129.91 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.83 127.23 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 68.6 p -132.43 172.44 12.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.139 -174.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -130.94 99.88 5.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 165.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.42 -29.54 68.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -169.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -80.13 -31.81 39.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -169.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 60.7 p -105.87 -25.42 12.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -140.05 177.32 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -80.69 115.7 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 171.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.96 -75.05 0.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -172.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.67 -29.52 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.55 -47.37 82.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -67.72 -39.02 84.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.928 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.98 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.196 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -64.74 -40.48 95.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -60.2 -37.65 80.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 89.8 m -63.58 -41.47 98.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 170.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.17 -38.6 89.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 176.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.3 t -59.33 -45.0 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.88 -38.46 90.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -69.26 -37.5 77.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.51 -44.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.042 175.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -65.75 -32.76 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -62.13 -52.43 63.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 178.669 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -106.71 122.6 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.45 140.2 52.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -119.38 132.61 55.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -100.89 101.18 11.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' C ' HD23 ' A' ' 6' ' ' LEU . 7.3 tt -116.1 120.28 38.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -169.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -102.37 124.96 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.06 135.64 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.64 151.61 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 173.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.65 171.75 27.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -170.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.13 160.74 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -172.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.88 152.14 26.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.553 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.87 -16.77 80.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -101.22 16.73 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 111.159 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.86 -135.8 8.17 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.534 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -56.69 -28.56 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.6 t -63.29 -53.45 52.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.98 78.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.164 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.99 -41.28 99.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -69.11 -45.1 71.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.59 -43.79 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 -172.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -67.9 -28.7 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -73.67 -45.0 55.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.464 HG13 ' HG2' ' A' ' 25' ' ' GLN . 42.4 pt -78.47 -19.78 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -175.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 99.3 mm-40 -105.57 -22.52 12.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.99 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.8 m-20 68.16 14.91 9.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -175.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -139.93 150.77 44.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -83.06 120.33 25.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.3 t -112.45 124.64 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -174.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -83.07 -34.58 26.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -89.76 80.65 6.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -79.74 179.11 7.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -173.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.475 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 2.8 p30 -63.78 158.59 59.87 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.636 0.731 . . . . 0.0 110.865 -172.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 36.4 Cg_endo -64.41 164.43 23.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 0.0 112.307 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.9 p -70.08 -5.21 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -176.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.7 mt -75.37 129.4 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 172.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -40.39 133.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -154.66 104.95 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.822 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.8 m -99.71 161.38 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -130.42 152.61 49.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -168.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.87 143.18 49.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 168.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -148.39 130.19 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -79.05 126.79 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.966 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.02 156.92 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -172.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.5 t -107.33 118.15 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -130.59 124.16 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 60.72 27.02 16.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -173.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.68 -0.03 89.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -104.25 128.71 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.858 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.3 m -86.95 127.49 35.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -149.98 170.37 19.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.2 tp -99.18 120.22 39.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.5 tp -105.44 118.95 37.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -97.41 113.05 24.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mm -100.22 114.96 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 -175.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.08 113.65 25.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -176.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -116.96 139.49 50.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.6 m -106.65 135.7 47.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.83 130.56 13.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 174.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.49 -25.44 24.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -107.31 146.05 32.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.972 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.5 -52.73 10.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -129.95 -30.32 2.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -68.9 128.17 35.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -169.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.5 t -155.85 123.28 5.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 165.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.49 85.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.8 mtp -80.4 -48.31 13.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -65.34 -41.45 93.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -170.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -63.08 -37.46 87.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -64.31 -43.3 95.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -65.62 -33.6 76.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.9 mmm -64.78 -36.52 84.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.75 -29.98 70.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.8 p -85.96 -30.94 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.467 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 70.89 28.91 69.85 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.431 171.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -60.5 -60.15 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 110.873 -173.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 151.88 23.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -146.16 126.5 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -170.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.424 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 87.1 mt -111.21 131.88 54.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 170.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.5 t -109.76 114.5 28.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.2 t -103.33 131.6 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -136.92 164.09 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -99.52 134.81 41.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 177.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.93 -30.16 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -87.85 -14.4 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.451 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 41.9 t-20 -90.72 114.8 27.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.9 m -65.9 -44.48 85.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.0 -28.05 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.3 t -59.8 -36.25 76.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -65.34 -38.4 90.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 176.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.58 -35.38 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.24 -44.93 90.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.5 pt -71.02 -26.41 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 -177.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.52 -46.81 86.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.811 171.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.419 ' HB2' HE21 ' A' ' 95' ' ' GLN . 15.9 mt-30 -66.1 -43.01 88.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -59.47 -40.99 88.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.1 tpt85 -53.77 -44.27 69.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.09 -36.88 64.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.535 ' O ' HG23 ' A' ' 103' ' ' VAL . 27.9 tt0 -67.97 -52.69 33.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -173.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.8 pt -64.64 -27.42 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.21 -174.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.22 -43.77 92.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.06 -35.66 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.876 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 99' ' ' GLN . 64.5 t -63.11 -38.92 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -173.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -74.56 -13.4 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.811 -173.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 45.39 43.96 8.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.0 t -156.16 -170.98 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -176.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -77.24 -179.12 5.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -66.92 116.27 7.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -177.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.467 HG11 ' HA3' ' A' ' 75' ' ' GLY . 33.7 m -107.59 159.86 28.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.608 0.718 . . . . 0.0 111.151 -178.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -54.98 124.01 15.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.277 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 65.9 mtt -133.38 150.69 51.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 79' ' ' LEU . 84.3 t -132.79 136.16 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.197 173.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.5 tp -101.02 121.94 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.95 127.87 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 -169.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.65 138.97 14.16 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.507 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -98.44 169.96 9.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.379 . . . . 0.0 110.884 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 54.78 41.39 31.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 173.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.0 m -75.19 -7.0 52.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -94.66 2.12 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 173.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.9 tp -74.34 125.76 29.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.67 84.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -85.65 56.52 4.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 -101.49 90.65 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 174.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 42.4 p -82.5 57.78 3.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 90.5 t -139.46 128.23 28.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.252 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.67 125.44 26.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.0 p -62.91 -29.51 70.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.73 -38.07 89.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.838 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -69.61 -43.46 72.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.045 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -68.29 -48.18 65.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.93 -33.9 76.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.48 -44.07 92.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -62.15 -39.84 93.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 172.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.65 -32.23 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.886 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.0 p -67.54 -20.64 65.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -99.36 -0.92 40.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.2 24.8 70.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.558 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.424 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 92.9 mt -124.73 131.35 24.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.697 . . . . 0.0 111.193 -172.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -65.83 151.01 85.44 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -112.23 127.44 55.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -172.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 39.7 mm -122.39 138.08 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -101.17 127.56 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.492 ' CB ' ' HA3' ' A' ' 151' ' ' GLY . 6.8 t -137.13 174.5 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.487 ' HB3' ' H ' ' A' ' 149' ' ' ARG . 14.0 t -145.15 129.8 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 170.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.54 -19.39 64.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 170.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -92.84 -61.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -168.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 72.7 p -133.41 -44.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.22 -166.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.487 ' H ' ' HB3' ' A' ' 145' ' ' SER . 72.2 ttt180 -90.16 133.06 35.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -169.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -84.99 126.87 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.492 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -137.64 -51.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 59.9 t -52.3 -36.53 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.32 . . . . 0.0 111.095 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.35 -42.84 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -68.1 -35.51 78.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -59.01 -45.64 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 173.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -65.16 -45.42 85.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.5 m -68.42 -47.26 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 68.5 tp -63.13 -49.48 74.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.02 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 52.8 t -64.47 -39.26 84.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -57.49 -43.74 84.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 173.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.04 -33.44 73.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.9 -44.54 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 55.4 tpt85 -74.28 -30.02 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -79.96 -60.02 2.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.979 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.74 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.5 m -98.9 117.46 33.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -128.38 138.3 52.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -119.96 123.48 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 175.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -95.73 100.29 12.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -111.82 128.49 56.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.956 -167.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -95.23 121.01 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -172.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -109.02 134.44 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.102 -175.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.4 t -128.0 141.97 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.16 166.71 36.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.65 149.75 49.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.193 -172.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.03 -179.74 41.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.04 1.42 84.86 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.87 3.93 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.932 0.396 . . . . 0.0 111.067 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.22 -139.56 10.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.3 -18.26 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.967 -178.506 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.8 m -58.14 -49.37 77.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.41 -41.21 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.437 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 63.2 mt -64.88 -42.78 94.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -171.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -67.29 -44.71 78.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.1 mt -69.0 -41.17 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.045 -174.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.6 pp0? -67.93 -27.23 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -171.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.9 tp -72.55 -47.93 44.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.977 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.509 HG13 ' HG2' ' A' ' 25' ' ' GLN . 45.2 pt -78.36 -19.52 13.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.072 -173.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.509 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.4 mm-40 -106.78 -24.28 12.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.9 m-20 68.98 17.66 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -174.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -138.26 150.13 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -83.87 117.17 23.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -177.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.4 t -123.38 126.82 73.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 -173.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -92.67 -18.82 22.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -88.6 87.84 7.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.79 146.31 54.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.545 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 39.2 p30 -64.27 171.38 2.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.482 0.658 . . . . 0.0 110.889 -175.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 83.1 Cg_exo -52.32 155.6 9.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.616 2.211 . . . . 0.0 112.325 -176.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.7 p -74.32 -4.17 34.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -170.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.08 128.01 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 172.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -49.92 109.96 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -139.84 101.65 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.1 m -99.61 161.74 13.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -132.61 158.22 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 -171.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 54' ' ' ASP . 98.8 mtt180 -117.85 147.31 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -145.34 130.04 18.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -92.83 126.62 38.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -141.12 164.89 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.18 119.31 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.5 mt -129.8 129.47 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t0 65.06 24.81 12.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.96 -3.49 85.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.432 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.36 128.27 55.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.43 . . . . 0.0 110.913 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -72.21 127.32 32.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.2 p -144.71 162.72 36.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -106.23 122.02 45.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.6 mt -99.2 120.99 40.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.426 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 58.5 t0 -93.04 110.94 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 174.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.3 108.78 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -169.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.8 mt -97.77 106.56 18.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -172.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -99.84 154.3 18.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 m -99.07 132.75 44.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 172.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.47 143.44 31.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.091 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.66 -43.06 1.75 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -140.04 145.76 38.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.731 0.301 . . . . 0.0 110.902 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.86 -41.36 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -91.57 -33.44 15.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.829 -171.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -108.87 137.25 47.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.4 t -138.29 131.83 30.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 172.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.76 -42.05 86.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 63.7 mtt -84.88 -51.94 6.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -177.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -66.33 -44.68 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -167.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.87 -38.16 90.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 -175.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -70.84 -52.54 19.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -73.47 -29.86 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -171.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.5 tpt -53.17 -31.43 42.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 104' ' ' LYS . 98.5 mtt180 -69.29 -23.92 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.9 m -71.53 -44.02 65.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 171.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.69 31.42 36.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.505 164.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.61 -44.44 82.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.74 158.21 28.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.43 175.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 111' ' ' MET . 74.1 t80 -137.95 129.46 27.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.941 0.401 . . . . 0.0 110.877 -174.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.1 tp -110.23 120.3 42.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.7 116.53 32.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -107.85 130.81 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.061 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -132.44 170.81 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -101.04 128.85 46.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.402 HG22 ' HA ' ' A' ' 123' ' ' ARG . 91.1 mt -75.77 -27.02 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 -175.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.495 ' HB3' HD23 ' A' ' 120' ' ' LEU . 17.0 p-10 -88.06 -21.27 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.572 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 7.3 t-20 -97.22 96.99 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 173.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.6 m -54.02 -37.77 64.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.46 -19.36 65.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -174.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.6 p -60.61 -24.81 65.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -173.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -64.02 -38.98 93.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 174.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.13 -36.7 83.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.62 -47.86 79.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.3 pt -71.19 -26.88 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -64.37 -53.23 51.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.857 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -67.78 -33.83 75.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -60.58 -50.08 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.46 -43.67 89.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.829 -176.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.21 -36.7 84.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -175.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 103' ' ' VAL . 17.6 tt0 -69.17 -46.16 68.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.97 172.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.81 -36.97 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 97.0 mttt -59.42 -39.3 83.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.31 -35.45 66.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.816 175.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 99' ' ' GLN . 67.7 t -67.45 -40.33 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -177.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 106' ' ' SER . 58.7 pttt -75.72 -24.81 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -170.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 45.27 42.65 7.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.448 ' H ' ' HG3' ' A' ' 104' ' ' LYS . 71.6 m -134.79 175.78 9.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -174.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -74.87 -179.88 4.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -66.06 117.21 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -172.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 85.7 t -88.24 132.53 39.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 111.104 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -62.26 126.76 19.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 25.2 ptp -137.92 159.05 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -170.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.4 p -131.04 137.53 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.144 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.0 tp -98.48 117.44 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 81.8 t -128.37 131.55 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.48 146.28 16.05 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -100.05 169.0 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 174.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 64.99 39.79 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.1 t -67.04 -31.85 72.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 170.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -82.5 0.53 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -175.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 85' ' ' ASN . 60.7 tp -92.74 130.2 38.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 175.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.45 -30.76 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.05 77.05 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.402 ' HA ' HG22 ' A' ' 84' ' ' ILE . 99.8 mtt180 -90.15 79.98 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 173.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 52.6 p -85.05 64.88 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.2 t -136.27 131.09 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -76.91 110.92 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 92.9 p -62.87 -30.05 71.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -173.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.56 -39.5 94.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.819 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -73.92 -49.8 23.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' A' ' 141' ' ' TYR . . . -60.47 -43.52 96.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -67.62 -49.33 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.14 -33.56 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -176.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.62 -43.27 99.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -69.05 -34.62 75.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -66.05 -33.49 75.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.9 p -64.92 -24.69 67.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.753 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.95 4.21 31.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.63 39.42 67.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 175.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.522 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 6.0 tp -138.45 133.68 17.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.554 0.692 . . . . 0.0 111.199 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.52 145.63 46.25 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.434 ' CE1' ' HB1' ' A' ' 130' ' ' ALA . 48.5 t80 -91.93 126.42 37.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.95 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 84.9 mt -122.68 131.04 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -169.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -112.78 132.71 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 170.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 55.7 p -132.24 170.07 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -171.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -134.68 111.77 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 171.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.417 ' HB2' HD23 ' A' ' 19' ' ' LEU . . . -58.76 -25.16 62.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.8 -51.94 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -172.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.8 p -111.7 -24.5 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 -165.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -111.23 170.27 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -172.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.75 115.98 26.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.941 167.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.95 -74.97 0.98 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.553 -171.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 68.8 t -56.65 -44.47 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 111.11 -172.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.44 -48.23 82.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -69.14 -37.19 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.2 -45.82 83.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -69.98 -30.1 67.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -56.7 -47.9 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 173.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 87.9 m -66.54 -45.54 79.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 177.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.12 -52.3 63.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.006 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.1 -43.03 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -175.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.23 -40.44 94.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.4 -38.37 90.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.98 -39.96 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.197 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -67.98 -34.96 77.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.824 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -87.43 -49.99 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.777 -176.858 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.4 m -132.58 138.63 47.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -178.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -92.87 128.27 38.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -118.8 128.82 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.41 107.35 19.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 tp -103.66 125.27 50.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 71' ' ' TYR . 98.7 t -112.17 121.25 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.149 171.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.0 126.03 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.12 163.28 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.95 -176.96 30.87 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 -176.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.7 123.34 12.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 111.102 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.3 141.7 30.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.591 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.64 15.52 56.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -95.31 -73.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.71 55.0 0.16 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -64.27 -30.02 71.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.5 m -65.2 -41.92 94.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.05 -36.64 85.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.06 -37.4 87.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 176.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.0 m -65.25 -44.81 86.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.79 -39.05 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.519 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 7.5 tt0 -57.97 -33.77 69.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.65 -54.47 6.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 177.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.65 HG23 ' HG2' ' A' ' 25' ' ' GLN . 9.7 tp -81.67 -33.37 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -165.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.65 ' HG2' HG23 ' A' ' 24' ' ' ILE . 99.0 mm-40 -107.32 -31.28 8.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 16.6 m120 77.62 26.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -126.53 164.71 20.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -114.95 104.84 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 177.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 p -148.32 144.23 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 -176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -79.33 75.0 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -124.98 75.03 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -72.72 142.32 48.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -170.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -93.77 154.15 40.98 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.546 0.688 . . . . 0.0 110.955 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.5 157.68 53.75 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.394 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.9 p -70.78 -7.34 44.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.776 -176.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -56.13 130.29 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -53.2 110.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -147.53 96.26 2.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.9 p -86.29 159.99 19.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -126.83 152.1 47.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -127.95 136.3 51.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -134.53 131.33 37.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -175.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -79.07 123.4 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.01 164.62 33.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.22 -173.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.09 124.99 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -124.12 120.73 60.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 56.97 29.96 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.01 0.22 89.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -106.31 130.06 54.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.023 0.439 . . . . 0.0 110.886 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -81.29 125.0 29.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.206 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.4 p -140.37 176.63 8.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 tp -104.81 126.63 52.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -176.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.7 tp -101.06 112.84 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 174.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -91.71 119.24 31.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.7 mt -101.61 114.94 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -168.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HB3' ' HG2' ' A' ' 68' ' ' ARG . 73.8 mt -118.89 121.78 40.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 175.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -110.01 110.73 21.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m -97.72 132.59 43.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.12 130.91 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.39 -42.44 2.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 175.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -110.0 144.94 37.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.898 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -84.9 -46.49 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -131.73 -4.84 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -168.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -97.22 73.38 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -167.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 t -159.53 116.93 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.814 167.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.12 70.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.9 tpp -79.9 -46.41 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HG2' ' HB3' ' A' ' 56' ' ' LEU . 72.5 mtt85 -99.0 -56.34 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.906 -168.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.03 -14.61 60.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -168.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -49.27 -25.04 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.916 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.469 ' HB3' HG21 ' A' ' 7' ' ' VAL . 14.6 p90 -48.18 -32.59 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -175.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.9 mtm -59.9 -33.62 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -66.93 -34.79 78.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.1 p -90.23 -30.37 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 -173.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.47 18.94 78.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.82 -49.98 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.7 161.72 10.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -155.03 151.7 28.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.3 tp -111.02 124.46 52.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.1 t -97.99 124.89 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -109.99 135.03 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 -174.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -109.74 135.49 50.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.566 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -87.96 122.41 31.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 176.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' A' ' 116' ' ' ASN . 6.5 tp -67.34 -26.49 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 -169.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -103.22 -16.68 15.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -173.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.566 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 41.7 t-20 -88.13 115.32 25.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.9 m -67.54 -42.4 82.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.85 -21.0 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -175.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.4 t -51.84 -35.63 45.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -58.66 -45.4 89.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.77 -42.97 69.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -64.68 -39.09 93.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.767 -177.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.8 mt -66.64 -42.23 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -57.48 -47.25 82.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.425 ' HB2' HE21 ' A' ' 95' ' ' GLN . 17.7 mt-30 -65.16 -47.57 76.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -177.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -65.3 -41.16 94.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -64.79 -40.1 94.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.44 -43.45 98.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -68.85 -47.57 65.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.51 -41.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 175.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.04 -44.3 96.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -178.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.86 -40.02 87.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.0 t -69.95 -40.27 78.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.1 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -97.52 11.15 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -45.72 -37.53 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.6 m -118.75 74.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 172.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -167.51 157.32 10.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -107.4 82.67 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.8 t -118.18 124.09 28.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.132 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.41 ' HG3' ' HA ' ' A' ' 163' ' ' ILE . 66.3 Cg_endo -73.84 136.4 22.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.656 2.238 . . . . 0.0 112.391 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.8 ttt -144.78 140.0 28.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.8 t -132.25 137.45 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.198 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 134' ' ' ALA . 62.6 tp -103.99 121.66 43.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 175.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.04 134.19 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.91 143.46 16.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.54 177.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.459 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 52.3 p30 -93.63 164.29 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -177.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.474 ' H ' ' H ' ' A' ' 146' ' ' ALA . 56.7 mtpt 38.42 49.94 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.484 ' SG ' ' HG3' ' A' ' 143' ' ' GLU . 85.5 m -74.98 -6.9 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -177.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -97.57 5.03 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 176.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 tp -74.62 120.27 19.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.811 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.5 87.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.06 94.32 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -146.68 166.42 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.3 t -84.99 -165.59 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 70.8 t -40.88 141.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -175.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 7.5 tp10 -50.91 153.4 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -163.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.2 p -64.0 -20.86 66.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.434 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.7 mtt180 -60.6 -29.98 69.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.44 -42.38 98.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.21 86.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -65.03 -47.11 78.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.14 -37.32 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.73 -41.3 92.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.453 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -58.54 -38.22 77.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 175.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.39 -39.85 94.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.6 p -73.29 -22.03 60.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -89.81 -3.7 58.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.76 24.81 71.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 48.7 pt -134.7 156.7 78.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 111.109 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.54 153.04 60.39 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.622 2.214 . . . . 0.0 112.296 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -117.44 130.93 56.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 144' ' ' THR . 40.9 mm -114.23 132.83 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 176.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.484 ' HG3' ' SG ' ' A' ' 118' ' ' CYS . 80.1 tt0 -118.56 109.98 16.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -175.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.431 HG23 HG22 ' A' ' 142' ' ' ILE . 71.7 p -137.92 179.48 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -175.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.5 t -127.03 108.85 11.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.474 ' H ' ' H ' ' A' ' 117' ' ' LYS . . . -65.14 -28.73 69.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 -176.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -75.78 -41.35 53.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -173.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 78.8 p -106.96 -21.14 13.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 -168.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -139.39 176.14 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -175.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -87.58 115.09 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 171.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.95 -63.55 0.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.91 -38.57 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -55.44 -46.04 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.8 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.28 -37.93 81.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.832 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.18 86.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -63.15 -41.58 99.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -60.05 -39.62 86.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.1 m -65.09 -43.01 93.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.209 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.56 -41.46 90.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 163' ' ' ILE . 49.4 t -63.75 -39.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.71 -35.86 77.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 173.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -71.45 -34.8 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 174.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 160' ' ' VAL . 85.9 mt -64.18 -40.12 87.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.114 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.5 -25.08 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -78.8 -59.9 2.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.048 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.7 m -119.33 135.41 54.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -97.56 130.97 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -113.42 133.14 55.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -100.09 102.15 13.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 tt -112.88 120.49 41.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -172.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.1 t -102.1 132.75 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 -175.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -93.19 125.32 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.7 m -133.04 164.71 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 -177.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.54 179.61 19.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.94 144.94 34.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.95 177.39 52.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.544 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.07 -26.44 6.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.4 t -95.0 -78.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.05 70.47 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 172.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -60.65 -45.81 92.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -66.8 -39.64 87.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 32' ' ' TYR . . . -61.1 -37.37 82.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.75 -43.99 91.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.7 p -72.38 -34.39 67.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -70.94 -43.58 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.059 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -77.18 -34.47 56.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -175.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.43 -42.2 92.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -174.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 tp -66.73 -20.0 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 58.6 mt-30 -100.58 -9.18 22.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.1 m-20 65.04 35.81 7.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -176.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -134.93 -171.34 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.809 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -112.02 130.0 56.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.26 114.25 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 174.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -75.03 -65.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -85.1 105.59 15.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.525 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 53.2 p90 -66.76 158.37 30.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -178.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -73.34 149.37 89.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.56 0.695 . . . . 0.0 110.869 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.46 ' O ' ' HB3' ' A' ' 35' ' ' SER . 37.7 Cg_endo -65.03 160.76 40.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.593 2.195 . . . . 0.0 112.35 176.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 34' ' ' PRO . 8.3 t 75.01 168.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -173.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.438 ' HB ' ' HB3' ' A' ' 59' ' ' ALA . 44.2 pt -109.18 173.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -167.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.478 ' OE1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER 53.52 72.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 178.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -110.07 45.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -107.53 164.88 11.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.05 167.78 20.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -170.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -115.01 135.98 53.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 169.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -140.13 138.26 35.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -175.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -78.61 124.95 28.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.53 160.02 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -173.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.06 118.38 48.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 174.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.8 mt -128.41 124.99 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 59.61 27.61 16.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -173.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.11 0.49 89.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -110.0 134.93 51.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -83.01 125.04 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -148.27 175.08 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.76 128.68 52.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.8 tp -110.73 109.82 20.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -106.09 112.65 25.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.5 mm -97.18 130.04 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -173.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 56' ' ' LEU . 3.4 mm? -104.77 112.17 25.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 177.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -97.18 123.45 40.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 172.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 t -105.54 150.07 25.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 175.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 36' ' ' ILE . . . -165.51 146.91 7.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 -178.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.44 -38.17 3.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.429 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -115.01 171.12 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.902 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.21 -52.31 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -145.55 -15.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 169.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -58.37 114.49 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -176.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.6 m -139.03 140.31 38.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -175.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.91 -59.49 2.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.7 mtp -81.29 -43.76 18.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.48 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -68.48 -38.46 81.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -165.041 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.8 -35.13 75.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -61.13 -45.08 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -69.61 -34.95 74.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.8 mmm -66.39 -35.03 79.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' HA ' ' HD3' ' A' ' 104' ' ' LYS . 99.6 mtt180 -67.8 -32.07 72.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 176.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.5 m -72.77 -40.06 66.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 174.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.426 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 82.11 21.47 60.86 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.439 178.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.86 -51.29 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.918 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.98 145.32 4.36 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.444 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -155.03 150.0 26.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.961 0.41 . . . . 0.0 110.849 -175.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.442 ' C ' HD23 ' A' ' 79' ' ' LEU . 9.1 tt -102.21 119.88 39.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.23 122.83 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.26 125.25 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.443 ' HB2' HD11 ' A' ' 113' ' ' LEU . 44.6 t80 -122.76 132.81 54.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.848 -177.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.14 135.74 33.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 173.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.8 mm -77.54 -34.82 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -167.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -90.07 -18.0 26.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -177.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -90.59 102.59 15.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.1 m -59.8 -38.65 82.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.39 -25.03 67.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -177.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.7 t -59.88 -42.42 93.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -65.92 -42.96 89.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.68 -41.58 99.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.0 -38.74 92.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.98 -42.56 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 178.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -58.22 -45.18 88.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -62.22 -47.58 83.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -61.87 -46.48 89.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -178.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -62.54 -53.47 54.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -176.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -67.84 -39.71 83.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.53 -52.34 40.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -176.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.24 -42.09 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.14 -43.29 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.61 -36.27 76.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.76 -42.93 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' A' ' 73' ' ' ARG . 62.6 pttt -89.1 -3.6 58.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 51.86 46.68 26.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 173.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.7 m -129.72 169.97 14.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -174.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -82.77 -174.95 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -178.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -67.3 140.0 57.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.426 HG11 ' HA3' ' A' ' 75' ' ' GLY . 35.3 m -121.5 161.83 39.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.657 0.741 . . . . 0.0 111.137 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -49.17 124.39 11.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.1 ttt -150.32 140.11 21.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -176.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.58 133.38 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 82' ' ' PHE . 35.2 tp -97.78 124.45 42.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.3 t -117.93 123.33 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.74 155.08 16.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -100.05 175.48 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 62.73 65.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 173.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.3 p -70.02 -15.99 63.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -86.29 -9.96 55.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.789 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.533 HD22 ' HD3' ' A' ' 123' ' ' ARG . 80.9 mt 55.01 41.48 31.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 175.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.8 -60.92 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -177.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -96.12 65.18 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.6 ' NE ' ' O ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -169.24 159.88 9.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.449 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.2 p -123.87 32.27 5.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.88 130.03 75.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.045 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -80.15 154.45 28.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -175.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.5 m -61.3 -38.24 86.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.2 -37.19 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -69.04 -43.88 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.02 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.04 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.062 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -65.52 -45.53 83.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -64.45 -30.74 71.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 133' ' ' LEU . 0.1 OUTLIER -64.31 -40.04 95.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 174.026 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.45 84.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 171.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -63.32 -33.01 74.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.2 m -63.77 -27.22 69.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 176.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.506 ' HB2' HG12 ' A' ' 139' ' ' ILE . 18.1 m-30 -91.06 -9.0 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 178.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.89 28.99 61.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.506 HG12 ' HB2' ' A' ' 137' ' ' TYR . 36.2 pt -132.01 158.75 74.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.749 0.785 . . . . 0.0 111.005 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.3 Cg_endo -73.04 154.85 52.8 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 178.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -119.62 128.69 54.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -121.36 124.74 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.067 173.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -107.57 126.73 52.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -146.59 177.28 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.6 t -111.68 122.6 48.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.82 -28.88 62.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -95.05 -55.73 2.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 58.0 p -97.63 -10.57 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -159.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -136.02 154.32 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -101.63 103.18 13.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 171.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.95 -22.84 3.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 177.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.87 -44.0 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 111.103 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.62 -43.4 93.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.0 -39.07 92.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.99 89.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -59.86 -45.56 92.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 175.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -65.63 -36.78 84.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 82.2 m -63.52 -42.74 98.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.18 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.32 -39.74 94.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.73 -40.02 87.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.1 -40.08 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -65.05 -34.7 79.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.7 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 171.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -64.96 -27.55 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -85.88 -48.01 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 79.2 m80 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -177.203 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.0 m -97.78 116.04 29.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -129.29 136.51 50.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -117.34 120.97 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -103.07 104.73 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -172.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.3 mt -115.62 131.62 56.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 86.5 t -96.53 135.14 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -175.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.52 122.31 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.94 164.88 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 170.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.41 -160.64 30.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 89' ' ' SER . . . -57.74 133.3 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 111.093 -177.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.84 98.22 2.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.14 -14.62 5.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.3 t -66.27 -67.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 111.123 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.95 67.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.527 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -66.42 -34.88 78.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.918 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 t -68.79 -42.16 77.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.79 89.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 92.7 mt -67.64 -32.57 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.938 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -69.9 -38.77 76.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.94 -43.53 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.2 pp0? -68.48 -22.33 64.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -174.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.07 -46.6 73.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.592 HG13 ' HG2' ' A' ' 25' ' ' GLN . 50.6 pt -86.28 -20.81 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.592 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.1 mm-40 -106.83 -20.8 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -177.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.2 m-20 64.89 35.09 8.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -174.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -156.9 139.82 15.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -89.67 126.85 35.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.23 165.74 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -96.69 -28.96 14.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.11 136.97 58.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -109.44 149.39 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -83.48 140.98 41.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.69 0.757 . . . . 0.0 110.825 -178.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -68.06 161.64 43.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 173.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.1 m -50.56 -36.02 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -74.41 125.09 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 57.01 52.42 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.53 ' OD2' ' HB2' ' A' ' 59' ' ' ALA . 24.5 p-10 -90.02 -47.43 7.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.3 m -77.24 147.39 36.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -133.62 155.06 50.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -119.4 143.76 47.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -142.52 129.8 21.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -79.42 122.18 26.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.92 160.04 23.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.62 116.74 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 172.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.7 mt -129.39 130.02 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t0 66.84 21.61 10.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.35 -4.94 82.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -109.59 129.9 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 110.954 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.8 m -70.44 129.27 38.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -151.8 173.95 14.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.0 tp -103.82 123.34 46.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.012 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.4 tp -101.83 116.3 32.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -101.95 115.83 31.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -103.06 114.98 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 56' ' ' LEU . 3.0 mm? -94.96 114.95 26.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -171.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -97.42 142.85 28.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 68' ' ' ARG . 71.4 p -76.18 151.66 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.53 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . . . -140.07 143.0 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -173.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.89 -113.91 4.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -97.16 161.03 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.31 . . . . 0.0 110.908 -177.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -70.52 -43.32 69.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.18 -18.88 26.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -175.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -122.4 83.31 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -153.45 120.25 5.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.28 -31.04 71.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 38.3 mmt -65.06 -35.07 79.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -175.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HB2' HG22 ' A' ' 58' ' ' THR . 69.4 ttp85 -89.76 -48.94 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 173.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.09 -45.79 83.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -166.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -71.84 -49.0 42.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -75.74 -38.64 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.019 -169.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.4 tpp -64.75 -32.9 74.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.851 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -63.46 -32.66 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.7 m -70.47 -40.98 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.89 25.88 61.51 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 173.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.48 -36.52 81.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.6 156.21 8.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 173.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -155.63 150.01 25.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.2 tp -109.24 134.28 51.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.7 m -103.57 115.55 30.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.6 m -117.62 142.07 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -144.34 165.66 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.22 130.3 37.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.454 HG22 ' HB2' ' A' ' 117' ' ' LYS . 9.0 tp -73.7 -20.32 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -175.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -93.74 -14.26 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -93.92 117.27 29.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -65.85 -39.99 91.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.01 -20.19 60.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -171.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 91.6 p -61.67 -26.55 68.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -173.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -62.77 -38.28 89.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.32 -39.48 92.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -59.33 -46.87 87.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.9 mt -69.63 -37.63 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -56.09 -40.26 73.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -65.61 -45.55 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -59.29 -49.03 79.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -45.56 74.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -173.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.8 -38.85 80.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -68.97 -48.04 64.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.42 -37.53 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -52.47 -42.6 64.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.9 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.93 -35.85 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -97.15 14.75 24.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -170.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -46.69 -34.84 5.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.1 m -128.41 75.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 171.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -165.06 155.96 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -110.53 100.2 9.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.88 128.2 17.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 111.133 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.99 140.09 19.88 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.744 2.296 . . . . 0.0 112.317 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.9 mtt -133.17 143.1 48.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.2 t -138.87 135.63 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 173.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 134' ' ' ALA . 54.2 tp -100.48 121.72 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 176.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.7 t -119.75 127.87 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.148 -174.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.86 135.99 12.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.453 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -92.57 179.36 5.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 0.0 110.959 -168.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.454 ' HB2' HG22 ' A' ' 84' ' ' ILE . 74.3 mttt 50.34 40.23 22.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 170.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.0 m -74.66 -5.01 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -93.72 -8.6 40.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 172.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.9 tp -91.23 122.32 33.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.91 89.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.0 93.35 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -152.58 172.49 16.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.4 p -71.75 -175.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 54.8 t -45.59 145.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 7.3 tp10 -43.69 149.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -170.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 94.6 p -64.87 -10.67 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.4 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.8 mtt180 -58.92 -33.87 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 174.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' A' ' 129' ' ' GLN . 2.6 tt0 -69.91 -35.13 74.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.3 80.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -64.12 -46.12 85.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.0 -39.39 92.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 79.2 mt -65.57 -41.41 92.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.009 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.42 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -63.68 -39.88 95.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 175.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.23 -36.25 82.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 81.1 p -65.24 -24.57 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -103.64 5.09 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.93 27.43 66.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 170.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.04 153.86 78.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 111.156 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.11 154.9 42.29 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.242 . . . . 0.0 112.317 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -117.72 129.99 56.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 44.5 mm -118.08 138.55 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -97.72 131.0 44.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.692 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 5.8 t -135.05 169.27 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 36.7 t -161.25 141.89 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.28 -24.2 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 169.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.428 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.6 tttt -76.85 -68.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -171.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.428 HG23 ' HG2' ' A' ' 147' ' ' LYS . 40.4 p -138.03 -44.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.423 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 15.4 tpt180 -57.84 120.03 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -171.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -90.39 116.17 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.692 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -130.33 -55.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.544 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.439 HG23 HG21 ' A' ' 144' ' ' THR . 59.4 t -55.01 -49.58 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.798 0.333 . . . . 0.0 111.05 -172.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.23 -46.48 90.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.99 -34.64 78.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.6 -41.06 93.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -65.06 -38.59 91.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -63.97 -39.3 93.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 82.4 m -62.74 -42.11 99.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.01 -42.63 94.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.66 -43.95 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -65.04 -34.95 79.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.07 -37.91 89.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.1 -40.63 89.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -65.87 -31.71 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . 0.453 ' HB2' HE21 ' A' ' 165' ' ' GLN . 14.0 mt-30 -80.91 -43.72 19.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 24.8 m170 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -177.741 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.87 0.367 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -96.92 117.67 31.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -132.59 138.17 47.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -117.18 112.83 21.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 92.5 mttt -98.57 102.87 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -115.29 126.77 54.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.011 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.95 125.0 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.6 t -95.32 124.36 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.65 159.98 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.44 -168.49 41.61 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.411 ' HB2' ' HA ' ' A' ' 89' ' ' SER . . . -77.5 145.0 37.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.047 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.72 142.15 36.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.07 10.63 74.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.4 t -97.47 -69.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.03 65.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.68 -49.29 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.706 0.288 . . . . 0.0 110.803 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m -78.31 -34.06 48.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.914 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.95 87.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -167.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.32 -34.27 75.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.5 p -76.01 -37.27 58.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.1 mt -70.68 -42.09 77.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -67.57 -23.64 65.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.6 tp -67.43 -47.25 70.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.58 HG13 ' HG2' ' A' ' 25' ' ' GLN . 46.7 pt -86.83 -19.96 7.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -173.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.58 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.8 mm-40 -107.12 -22.43 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -176.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.2 m-20 64.95 35.07 8.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -172.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -154.93 138.49 15.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -89.34 130.14 35.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.84 164.04 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -102.98 -19.62 14.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -69.87 121.08 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -172.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -84.68 138.89 32.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -64.9 136.82 96.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.692 0.758 . . . . 0.0 110.864 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.72 152.75 64.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.619 2.213 . . . . 0.0 112.315 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.8 m -53.69 -39.69 65.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 -178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.3 mt -74.93 123.22 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 55.02 46.63 23.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -72.34 -24.21 61.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 m -110.01 149.94 29.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -149.27 161.4 42.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.929 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -121.53 145.86 47.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.81 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -142.19 129.91 21.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -78.79 123.35 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.88 159.64 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 -174.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.0 t -108.76 120.6 60.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 171.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.0 mt -124.95 124.24 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 59.01 29.28 18.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.79 -3.24 87.29 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -106.3 130.0 54.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -81.23 130.02 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -150.05 170.81 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -105.56 119.71 39.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.997 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.9 tp -97.34 116.06 28.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.951 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' HB3' ' HA ' ' A' ' 5' ' ' LYS . 67.6 t0 -100.35 114.39 27.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.6 mm -96.43 114.71 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.5 mt -106.29 124.26 49.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -172.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -114.07 166.55 11.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.7 m -91.75 139.11 30.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.15 137.23 52.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.04 -106.51 2.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . 99.6 mm-40 -82.22 168.73 17.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -175.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.93 -43.24 72.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -172.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -129.95 13.55 5.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.44 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 78.1 m-85 -124.54 86.27 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -137.84 116.73 12.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.41 -34.87 77.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.089 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mtp -70.7 -45.0 65.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -175.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -85.83 -43.7 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.946 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.34 -30.69 71.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -174.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -59.35 -45.2 92.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -74.84 -33.9 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.5 tpp -62.13 -29.2 70.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -56.58 -32.56 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.7 m -75.04 -44.21 49.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.55 28.59 47.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -64.09 -30.92 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.414 . . . . 0.0 110.911 -176.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.91 153.9 6.68 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.414 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.7 150.23 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.1 tp -107.69 131.96 53.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.948 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.8 m -100.24 115.35 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -114.95 133.61 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.421 ' HB2' ' HB3' ' A' ' 89' ' ' SER . 37.2 p90 -134.52 160.03 39.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.455 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -92.44 135.46 34.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 174.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.5 tp -66.08 -24.85 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 -173.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -98.28 -20.03 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.455 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 10.7 t-20 -94.74 98.08 10.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.5 m -60.06 -33.79 72.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.49 -24.28 67.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.865 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.421 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 66.8 m -57.05 -35.19 69.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.851 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -64.49 -37.22 86.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.66 -41.21 92.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.98 -43.22 99.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.6 mt -67.52 -38.76 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -55.78 -43.15 76.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -65.0 -42.33 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -56.7 -45.74 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -61.26 -48.88 79.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.962 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.79 -37.17 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.3 -51.33 64.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.06 -36.18 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 105' ' ' ASP . 86.7 tttt -53.92 -37.28 63.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -54.99 -46.9 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.5 t -76.5 -37.91 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.53 16.9 25.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -169.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' LYS . 38.8 t70 -41.46 -40.15 1.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.2 m -118.98 77.96 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -166.4 157.64 13.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.809 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -101.62 103.63 14.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.0 t -119.12 116.22 34.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.597 0.713 . . . . 0.0 111.098 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -54.59 126.21 21.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.738 2.292 . . . . 0.0 112.371 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.417 ' O ' ' HD2' ' A' ' 140' ' ' PRO . 91.1 mtp -136.64 142.49 43.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 87.1 t -139.82 136.96 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 170.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.4 tp -98.06 119.85 37.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 84.0 t -118.19 127.09 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -173.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.04 135.08 12.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.338 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -90.69 -179.38 5.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 -172.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 56.75 65.09 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 143' ' ' GLU . 88.0 m -90.98 -14.97 30.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -94.79 -9.4 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -104.81 143.92 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.2 -43.13 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -55.93 120.97 8.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -164.95 161.85 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -175.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.1 t -84.98 -165.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 169.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.4 t -42.13 141.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -48.56 151.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -164.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.2 p -64.83 -19.1 65.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.42 -35.67 79.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -34.92 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 174.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.88 85.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -63.64 -45.66 89.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 173.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.87 -34.99 75.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.18 -40.98 95.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 174.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.54 79.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 173.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -64.88 -38.62 91.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 70.0 p -70.36 -22.72 62.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -89.42 -8.84 52.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.32 26.28 64.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.6 pt -132.87 153.68 81.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 0.0 111.206 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 111' ' ' MET . 27.9 Cg_exo -63.68 153.35 75.75 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.747 2.298 . . . . 0.0 112.328 176.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -118.02 126.81 53.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 41.5 mm -121.69 136.57 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.226 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.484 ' HB3' ' SG ' ' A' ' 118' ' ' CYS . 98.6 mt-10 -104.03 132.41 50.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 6.6 t -142.46 167.84 21.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -137.78 137.84 38.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.82 -22.8 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.1 170.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -77.49 -69.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -171.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.9 p -139.78 -44.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 110.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -171.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -80.06 120.06 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 143' ' ' GLU . . . -130.62 -51.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.8 p -55.34 -28.09 21.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -170.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -53.6 -43.68 68.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.14 -34.9 78.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.65 98.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.032 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -65.02 -37.9 89.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -64.82 -37.51 87.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 90.3 m -63.78 -42.8 97.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.187 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.0 -46.34 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 20.3 m -72.39 -27.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.67 -41.3 96.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 173.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.3 -42.42 93.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.98 -39.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -64.87 -43.93 91.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -83.16 -34.9 25.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -171.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 176.687 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -100.03 124.07 44.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -108.41 133.82 52.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -110.33 134.65 52.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -99.35 102.08 13.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 tt -114.87 119.66 37.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.77 128.56 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.3 t -96.53 124.28 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.57 163.08 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.3 -165.12 28.66 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.52 122.11 12.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.119 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.24 159.49 35.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.526 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 1.46 88.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.7 t -95.01 -77.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.087 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.49 54.65 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -67.37 -36.38 81.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.319 . . . . 0.0 110.891 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.9 t -63.87 -42.78 97.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 174.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.25 97.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 89.4 mt -66.18 -37.28 85.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.5 m -67.38 -44.21 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.33 -39.9 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 3.8 pp0? -69.43 -20.98 63.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -172.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.4 tp -70.43 -50.79 34.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.603 HG13 ' HG2' ' A' ' 25' ' ' GLN . 46.0 pt -81.24 -19.92 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 -171.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.603 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.8 mm-40 -110.5 -18.96 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -177.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 95.7 m-20 64.98 28.86 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -155.97 139.43 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -83.06 122.27 28.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.9 124.67 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 -177.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.27 -34.13 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -55.07 130.72 42.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -92.33 143.67 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.953 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -76.0 139.95 69.79 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.703 0.763 . . . . 0.0 110.827 -176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.33 156.22 62.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.237 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.9 t -53.72 -38.73 64.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -75.09 125.07 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 57.48 46.34 18.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -79.13 -15.3 58.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -113.67 149.16 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -172.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -136.99 152.97 50.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -174.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -124.7 147.15 48.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -148.08 138.29 22.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -176.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -78.36 124.91 28.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.68 160.03 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.09 116.52 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -130.96 126.51 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.2 t0 65.22 25.03 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -174.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.76 -3.43 85.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -111.62 135.8 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.918 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.6 m -79.16 129.93 34.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.9 p -148.92 173.8 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.6 tp -104.44 120.91 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.975 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.2 tp -106.26 115.87 30.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -100.07 111.86 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.0 119.47 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.291 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.9 mt -106.23 128.38 53.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -166.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -107.4 163.44 13.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.5 m -70.8 135.13 47.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.8 139.15 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.55 -101.81 2.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . 97.6 mm-40 -90.12 -177.75 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.83 -175.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.08 -43.01 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -128.27 -4.98 5.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.404 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 89.0 m-85 -109.47 104.61 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.6 t -140.61 120.21 13.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.71 86.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 65.4 ttp -69.95 -58.56 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -69.68 -44.6 70.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -167.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.67 -33.64 76.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.35 -43.84 98.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -65.98 -36.88 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.1 -35.03 79.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.62 -33.04 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.6 m -69.97 -40.96 75.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.27 25.46 63.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 172.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.0 -36.86 80.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.819 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.56 146.23 4.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -149.19 150.0 31.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -106.32 129.02 54.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.8 t -97.5 118.16 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -109.7 131.74 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.119 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HB3' HG21 ' A' ' 93' ' ' ILE . 32.3 p90 -131.02 163.81 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 177.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -94.0 133.05 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.547 HG13 ' HB2' ' A' ' 123' ' ' ARG . 9.7 tp -74.7 -22.84 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.118 -171.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -100.41 -17.04 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.617 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 44.3 t-20 -88.94 116.29 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 -176.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.4 m -68.75 -44.34 73.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.081 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.42 -27.29 67.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.913 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.3 t -59.19 -38.99 81.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -63.89 -42.6 97.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.39 -37.42 85.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.86 -47.69 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.41 HG21 ' HB3' ' A' ' 82' ' ' PHE . 50.3 pt -72.41 -25.97 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -175.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -61.66 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -71.55 -46.82 58.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -64.31 -48.63 74.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -172.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -67.44 -40.01 85.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -173.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -67.83 -43.16 80.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -63.63 -47.58 80.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.929 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.15 -43.05 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 105' ' ' ASP . 88.2 tttt -59.59 -44.31 93.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -64.99 -40.56 95.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -176.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.8 t -69.61 -40.11 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -102.46 10.02 39.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -173.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 101' ' ' LYS . 38.8 t70 -46.64 -47.92 20.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -176.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.1 m -85.03 61.99 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -169.44 160.04 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -95.76 86.35 4.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.65 108.09 49.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 -176.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -59.04 129.55 32.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 58.0 mtt -134.4 139.35 45.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.1 t -135.74 140.44 44.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.178 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 37.8 tp -109.31 127.77 54.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.486 HG12 ' HB ' ' A' ' 142' ' ' ILE . 28.1 m -130.05 143.46 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.72 151.6 18.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 172.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -91.79 178.93 5.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -171.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 54.97 44.83 27.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 170.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.5 m -89.86 11.32 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -103.61 -12.31 17.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 165.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.5 mt -103.18 150.59 23.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.26 36.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.09 115.68 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.078 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.547 ' HB2' HG13 ' A' ' 84' ' ' ILE . 30.8 ptt-85 -167.1 175.54 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 -177.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.8 t -82.04 -166.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 173.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 53.5 t -44.12 147.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.21 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -43.74 149.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -168.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.9 p -63.69 -12.77 37.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 -174.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -58.27 -33.11 69.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.418 ' HB3' HE21 ' A' ' 129' ' ' GLN . 3.7 tt0 -69.02 -37.41 78.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.031 176.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.39 90.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -58.22 -49.44 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 170.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.32 -36.52 80.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.19 -33.75 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.402 ' HB1' HG13 ' A' ' 139' ' ' ILE . . . -68.46 -39.82 81.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 169.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -69.13 -28.57 66.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.6 p -65.42 -28.03 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -105.4 0.7 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.16 38.68 17.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.497 169.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.402 HG13 ' HB1' ' A' ' 134' ' ' ALA . 43.4 pt -125.35 156.52 70.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.48 150.77 52.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -118.37 126.39 52.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.486 ' HB ' HG12 ' A' ' 114' ' ' VAL . 40.8 mm -121.64 138.41 52.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.14 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -91.29 131.62 36.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 10.6 t -141.31 163.35 33.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -143.29 140.08 30.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.92 -14.98 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -80.05 -69.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 50.4 p -138.91 -44.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -55.53 120.1 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -167.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -90.03 102.78 15.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.32 -27.06 2.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.541 170.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.29 -45.15 96.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.95 -44.84 96.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.0 -36.68 85.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.32 95.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -60.16 -42.96 96.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -64.72 -39.06 93.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.6 m -63.97 -43.22 96.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.57 -42.45 99.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.51 -39.9 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.58 -37.52 86.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.805 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -65.99 -35.39 80.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.99 -40.0 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 170.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -64.94 -30.39 71.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -85.33 -48.88 8.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -174.898 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.6 m -98.56 119.35 37.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -122.59 137.56 54.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -114.62 127.56 55.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -100.54 100.4 11.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.918 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -113.03 122.7 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.7 t -100.58 127.44 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -91.2 124.1 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.99 161.59 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.33 -167.58 38.31 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.45 144.99 43.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 111.076 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.98 140.71 30.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.58 22.32 53.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.456 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 83' ' ' ALA . 92.0 t -96.4 -71.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.082 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.59 54.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -72.48 -42.43 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.827 -168.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -68.68 -40.29 80.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.903 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.81 97.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 95.8 mt -65.61 -34.49 78.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.3 m -67.66 -42.56 82.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.158 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.36 -41.91 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.9 pp0? -66.95 -28.23 68.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -174.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.8 tp -74.88 -46.43 36.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.635 HG13 ' HG2' ' A' ' 25' ' ' GLN . 40.6 pt -82.07 -21.53 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 -171.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.635 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.6 mm-40 -112.45 -11.47 13.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.5 m-20 65.03 24.09 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -175.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -164.99 142.25 6.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -176.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -80.49 128.27 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.0 t -111.05 128.73 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -58.35 -43.68 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.9 108.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -82.04 120.16 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.979 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.66 140.03 86.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.66 0.743 . . . . 0.0 110.846 -172.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.1 165.45 32.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.611 2.207 . . . . 0.0 112.33 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.0 p -65.0 -14.83 61.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -78.17 123.97 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 172.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 54.8 49.14 18.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -90.0 -49.25 6.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -66.5 146.77 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.78 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -147.76 142.16 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.95 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -116.38 130.21 56.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.827 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -143.22 139.31 30.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.969 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -82.19 125.89 31.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.06 159.92 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -174.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.0 t -102.6 115.02 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -133.8 129.76 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t0 68.28 23.89 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.79 -4.12 80.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.433 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -112.16 136.93 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.978 0.418 . . . . 0.0 110.925 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.0 m -78.59 129.01 34.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.3 p -148.09 170.32 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -177.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.8 tp -104.99 118.49 36.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.993 -178.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.9 tp -112.57 116.5 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.981 -173.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -101.6 114.28 28.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.59 117.89 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.3 mt -108.51 115.63 30.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -101.8 147.01 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.8 m -59.84 135.14 57.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -172.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.28 146.0 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.46 -113.23 3.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.536 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -108.71 156.47 19.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.14 -37.74 81.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -89.93 -24.21 21.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -126.66 78.49 1.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.5 t -115.2 122.95 47.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.82 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.07 -31.83 73.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.17 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.9 mmt -78.68 -42.86 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -93.57 -61.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -173.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -75.26 -41.64 56.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -164.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -59.99 -45.02 94.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -77.14 -34.19 56.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.1 tpp -59.38 -29.61 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.865 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -55.75 -33.91 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -77.95 -47.13 19.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.69 22.32 53.71 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.449 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.93 -37.38 66.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.835 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.08 149.84 5.84 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.402 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -150.33 151.35 32.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.8 tp -102.87 129.92 49.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.9 m -95.22 118.04 31.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.6 t -112.55 131.5 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.454 ' HB2' ' HB3' ' A' ' 89' ' ' SER . 33.0 p90 -133.46 159.04 41.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.685 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -89.25 132.67 34.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 175.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.597 HG13 ' HB2' ' A' ' 123' ' ' ARG . 10.6 tp -68.95 -25.28 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.183 -170.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -102.09 -16.81 16.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.685 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 11.2 t-20 -92.97 101.81 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 176.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.0 m -59.43 -34.81 72.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.141 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.59 -24.01 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 58.0 m -59.24 -38.34 79.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -64.14 -36.84 85.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.63 -40.31 95.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -64.08 -39.93 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.5 mm -64.97 -40.2 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -58.75 -44.44 90.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.836 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -62.8 -42.24 99.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -57.01 -44.51 82.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -61.11 -45.59 94.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.06 -38.07 89.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.74 -50.32 63.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.8 mm -63.49 -39.41 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.56 -40.88 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -56.56 -52.48 64.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -176.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.9 t -76.81 -39.55 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -103.6 13.98 32.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -168.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -40.03 -44.9 1.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.4 t -121.76 94.92 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 173.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -165.63 163.12 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.94 81.87 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.8 t -119.84 112.24 35.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.658 0.742 . . . . 0.0 111.152 -174.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -77.6 136.75 15.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.789 2.326 . . . . 0.0 112.283 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 46.7 mtt -137.66 143.79 41.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.4 t -137.73 135.24 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 168.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.466 ' HB2' HD12 ' A' ' 139' ' ' ILE . 49.2 tp -104.56 119.22 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.35 135.06 64.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.88 153.34 17.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.403 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.444 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 48.2 p-10 -96.43 177.69 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -170.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 49.99 48.8 21.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 165.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.4 m -90.88 12.37 19.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -98.84 -10.23 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 161.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 64.3 tp -89.93 120.79 31.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.14 93.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 114.98 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.117 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.597 ' HB2' HG13 ' A' ' 84' ' ' ILE . 40.7 ptt180 -165.0 -179.96 6.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.1 t -78.52 -168.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.3 m -48.6 152.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 6.6 tp10 -47.07 146.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -169.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.3 p -66.09 -20.15 66.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -173.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.407 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.6 mtt180 -66.66 -38.07 86.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.2 -43.18 67.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.99 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.87 84.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -58.63 -48.64 80.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 172.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.2 -35.01 74.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.99 -41.99 94.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.99 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.88 85.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 174.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -67.66 -36.02 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.5 p -67.48 -20.76 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 173.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -89.66 -7.33 54.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.26 24.2 69.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' A' ' 113' ' ' LEU . 40.4 pt -130.41 152.21 79.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 111.145 -176.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.78 152.93 47.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.28 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -116.9 122.34 44.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.1 mm -120.17 136.36 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.181 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -107.35 123.48 48.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 5.9 t -136.53 161.58 35.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.9 t -135.32 139.32 44.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.9 -22.19 66.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.125 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.8 tttt -74.74 -68.94 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -172.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 147' ' ' LYS . 40.4 p -138.17 -44.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -58.13 119.9 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -169.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -90.36 113.42 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.66 -54.44 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.12 -29.51 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.22 -43.49 82.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.788 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.15 -34.7 78.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.36 96.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -62.98 -41.57 99.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -66.44 -41.96 88.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.2 m -64.83 -41.46 95.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 32.4 mt -61.19 -45.06 96.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.25 -40.95 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.5 -37.14 86.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -65.88 -41.13 91.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.97 -39.98 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -61.63 -34.55 75.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . 0.432 ' HB2' HE21 ' A' ' 165' ' ' GLN . 16.5 mt-30 -75.95 -44.37 40.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 177.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 178.551 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.6 m -92.05 124.95 36.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -98.14 130.18 44.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -136.34 133.32 36.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -101.0 121.47 41.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -120.06 126.48 50.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 65.4 t -100.57 126.81 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.207 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.7 t -93.15 122.07 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.61 160.57 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.236 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.94 -176.67 42.47 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.449 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 89' ' ' SER . . . -63.75 130.39 44.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 111.037 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.91 141.8 30.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.492 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.15 -1.15 69.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -94.98 -79.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 111.12 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.09 54.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.392 170.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -67.41 -35.6 79.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.382 . . . . 0.0 110.97 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -75.64 -40.19 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 175.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.12 97.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.131 -174.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.36 -42.13 93.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.9 m -67.95 -47.12 69.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.18 -48.21 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -70.42 -35.93 73.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -174.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.2 tp -63.3 -53.13 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 176.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -66.64 -32.18 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.169 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -96.84 -5.13 39.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.4 t30 50.94 46.35 26.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -160.08 144.98 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -176.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -94.78 125.39 39.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -174.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.0 159.79 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -147.3 24.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -119.67 29.72 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -87.7 133.34 33.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.98 140.06 88.36 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.55 0.69 . . . . 0.0 110.883 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -75.96 151.43 35.3 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.5 m 64.19 35.34 10.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.811 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.0 mm -115.16 138.2 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -96.82 38.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -63.66 108.22 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -110.64 154.94 23.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -170.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -130.05 150.1 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -167.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -126.15 134.19 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.873 173.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -137.4 131.14 31.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -173.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -93.19 123.99 36.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -134.08 159.96 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 -175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.96 122.7 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.155 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.2 mt -121.42 118.96 57.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 55.62 33.84 22.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.74 3.08 90.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -109.98 127.78 55.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.997 0.427 . . . . 0.0 110.888 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.2 m -74.13 128.54 35.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.0 t -138.96 139.26 37.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.7 tp -106.62 117.12 33.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.9 mt -106.42 115.24 29.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -170.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -93.51 110.05 21.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.52 114.23 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.2 tp -94.05 122.57 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -175.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -93.35 118.28 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.8 p -90.86 151.54 21.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.11 154.83 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.11 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.13 -109.4 3.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.96 169.98 16.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 110.941 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.46 -44.72 50.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -177.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -130.63 -20.06 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -83.52 76.55 9.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -167.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.7 t -150.44 140.0 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 171.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.79 81.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.085 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 67.5 mtt -67.49 -43.42 80.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -64.37 -42.43 96.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.87 -43.31 93.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -65.3 -47.19 77.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -175.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -76.12 -47.12 25.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.0 mtt -65.45 -26.83 68.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -61.92 -31.15 71.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.8 p -88.61 -32.1 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.734 ' HA3' ' HB3' ' A' ' 106' ' ' SER . . . 70.91 26.28 74.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.461 169.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.75 -38.28 69.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.0 158.64 9.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.428 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.35 148.63 28.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 110.916 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.1 tp -106.66 130.62 54.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.0 m -101.22 122.35 43.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -171.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.6 t -110.76 125.01 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.79 158.57 16.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -172.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.46 151.63 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -176.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 pt -89.94 -22.27 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -100.04 -42.25 6.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -88.09 98.98 11.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.1 m -61.09 -34.14 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.91 -17.89 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 60.5 p -58.28 -29.15 65.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.787 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -64.58 -42.74 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.74 -42.55 86.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.34 -44.19 83.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -69.43 -39.96 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -60.49 -38.72 85.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.779 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.82 -44.37 96.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.949 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -57.79 -38.98 76.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -57.25 -47.19 82.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.04 -35.05 79.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.73 -49.67 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.28 -42.22 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -67.66 -51.99 43.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -89.66 -58.14 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -172.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.8 t -70.85 -41.31 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.089 -169.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -87.61 -8.86 55.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 64.87 33.92 9.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.814 172.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.734 ' HB3' ' HA3' ' A' ' 75' ' ' GLY . 73.8 m -97.23 153.47 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -69.6 160.69 31.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.795 -174.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -91.18 105.41 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 111' ' ' MET . 33.8 m -110.4 160.02 29.99 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.615 0.722 . . . . 0.0 111.029 -176.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.34 133.38 42.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.57 2.18 . . . . 0.0 112.394 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.447 ' O ' ' HB ' ' A' ' 139' ' ' ILE . 55.4 mtt -129.98 161.95 29.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.7 t -129.55 133.35 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.5 mt -102.28 121.8 42.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.7 t -118.93 129.09 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -170.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.61 146.12 16.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -100.0 168.66 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -171.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 49.52 45.41 24.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.8 m -93.16 11.76 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.789 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.448 ' HB3' ' HB2' ' A' ' 149' ' ' ARG . 58.9 p30 -114.43 4.02 15.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 169.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.1 mt -107.0 159.31 16.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 175.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.92 79.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.71 98.29 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.018 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -110.04 172.16 7.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.795 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.8 t -81.44 -170.29 2.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.178 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 33.9 m -51.66 153.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.207 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -43.6 130.04 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -176.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.9 m -58.71 -30.11 67.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -172.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.03 -39.15 92.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.927 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -70.84 -46.5 62.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.03 80.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -64.99 -45.52 85.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 175.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -63.24 -34.5 77.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.05 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.9 76.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -66.27 -30.56 71.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -176.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.7 p -64.86 -22.32 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -104.16 0.32 29.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.876 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.99 27.67 64.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.447 ' HB ' ' O ' ' A' ' 111' ' ' MET . 40.0 pt -126.07 159.94 59.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.593 0.711 . . . . 0.0 111.171 -174.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 90.5 Cg_endo -79.62 154.5 23.84 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 -176.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -113.27 129.99 56.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 172.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.3 mm -118.11 138.31 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.193 -174.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -99.99 130.24 46.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.431 HG21 HG13 ' A' ' 152' ' ' VAL . 6.3 t -134.71 177.64 7.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.9 t -149.68 131.55 15.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 168.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.13 -20.26 63.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 166.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -74.05 -69.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 42.1 p -142.24 -44.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.448 ' HB2' ' HB3' ' A' ' 119' ' ' ASP . 75.7 ttt180 -61.13 128.43 36.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.794 -171.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.98 118.47 29.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.982 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.408 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -127.72 -51.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.416 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.431 HG13 HG21 ' A' ' 144' ' ' THR . 15.7 m -55.75 -27.34 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 111.142 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -55.88 -46.33 78.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.89 -43.7 71.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.37 -31.89 73.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 152' ' ' VAL . 89.2 t80 -61.97 -49.79 74.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -173.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -80.54 -36.94 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.4 m -64.52 -44.08 92.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.221 -178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.36 -44.91 96.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.18 -44.61 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -57.69 -48.44 79.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -68.72 -42.93 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -171.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.8 mt -70.27 -39.87 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -64.64 -40.7 95.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -79.98 -32.49 39.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.43 ' OXT' ' CG ' ' A' ' 166' ' ' HIS . 85.9 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 170.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 ttm . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.836 0.35 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.2 m -97.96 125.56 42.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -96.84 133.22 41.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -175.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -119.95 116.37 25.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -96.63 106.07 18.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.881 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.7 mt -107.13 123.76 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.0 125.07 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.9 t -95.73 127.49 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 -178.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.2 m -128.83 152.66 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.5 175.37 39.82 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.38 128.07 34.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.52 146.95 39.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.91 -33.33 6.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.4 t -75.68 -84.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.894 0.378 . . . . 0.0 111.057 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.24 55.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.415 171.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -64.83 -36.56 84.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -83.74 -50.25 8.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.68 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.068 -172.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.78 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 p -82.95 -33.39 26.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.7 -39.22 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -62.64 -24.45 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.57 -41.37 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.417 HG21 ' HB3' ' A' ' 40' ' ' TYR . 47.7 mm -68.52 -30.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.23 -4.42 51.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -176.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 57.17 37.18 28.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -168.18 141.26 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -79.78 116.32 19.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -170.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.4 m -130.96 152.58 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -145.07 24.97 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -109.97 25.73 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -176.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -82.18 130.17 35.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.06 140.01 90.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.872 -176.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.88 151.04 39.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -176.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m 61.85 34.94 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 176.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mm -112.89 135.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.215 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -101.56 39.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -86.62 99.9 12.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.4 m -89.51 156.6 18.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' HB3' HG21 ' A' ' 24' ' ' ILE . 97.7 m-85 -129.47 150.16 50.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -171.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -130.09 140.26 50.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -135.78 130.57 34.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -75.09 125.91 29.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 174.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -133.66 161.79 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.037 -173.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.19 122.5 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.151 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.1 mt -124.51 120.41 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 58.7 29.55 18.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.16 -0.91 88.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -103.6 139.27 39.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.954 0.407 . . . . 0.0 110.878 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.4 m -69.75 122.13 18.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.3 m -132.46 158.64 41.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -109.65 123.24 49.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 172.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.31 97.82 10.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -99.4 109.36 21.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -101.62 116.81 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 mt -102.99 126.29 50.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -171.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -92.63 139.98 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.041 0.448 . . . . 0.0 110.845 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.2 p -109.16 147.42 32.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.05 145.43 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.04 -104.97 2.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.459 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -84.92 159.02 20.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.668 0.27 . . . . 0.0 110.941 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.71 -41.38 53.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -140.03 0.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.38 77.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -173.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.4 t -155.05 154.04 31.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.9 73.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.063 172.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.8 tpp -79.94 -40.17 28.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -80.2 -60.51 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -174.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.01 -42.07 94.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -169.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.92 -49.62 71.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -172.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -77.92 -33.07 51.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -173.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.7 mmm -64.38 -24.75 67.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.954 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -54.15 -36.59 63.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 174.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.8 m -80.91 -50.09 10.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 175.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 26.7 73.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 172.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -51.74 -41.46 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.918 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 172.65 159.98 20.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -145.16 150.0 35.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.1 tp -104.65 126.85 52.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.9 115.37 28.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.9 t -101.17 123.94 54.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -94.13 134.0 37.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.45 152.14 28.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mm -80.76 -35.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -173.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -99.85 -40.45 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -84.88 96.25 9.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.1 m -62.7 -33.81 75.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 173.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.51 -18.01 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.7 p -56.81 -33.63 66.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.819 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.91 -48.45 74.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.5 -38.58 90.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.929 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.32 -40.97 98.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.73 -43.06 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -60.08 -43.61 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -63.27 -44.57 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -62.94 -38.01 89.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -59.15 -52.79 64.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.31 -34.53 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 103' ' ' VAL . 28.9 tt0 -66.3 -52.85 43.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -176.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.15 -39.9 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.108 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -55.25 -46.09 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.96 -39.26 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 99' ' ' GLN . 54.4 t -64.54 -38.1 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -94.97 -5.0 45.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 54.97 46.65 23.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -174.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 t -99.93 156.87 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.735 -173.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -79.49 -179.7 6.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.829 169.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -76.59 118.9 19.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.51 160.21 28.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.724 . . . . 0.0 111.08 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -53.46 131.16 42.15 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.5 ttt -145.02 139.98 27.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.6 t -133.79 138.32 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.157 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.6 tp -102.72 123.52 46.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.48 134.57 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.11 147.79 18.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.44 HD21 ' HB2' ' A' ' 146' ' ' ALA . 16.8 t-20 -100.02 170.55 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -170.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.4 mttt 54.97 38.67 30.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.0 m -84.95 -11.39 55.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.854 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -104.33 3.55 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.48 157.46 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.16 94.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 175.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.03 97.54 5.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.054 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -110.04 154.96 22.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -173.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.7 t -84.94 -167.59 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 34.0 m -50.8 154.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.12 132.62 47.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -169.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.2 m -58.06 -34.97 70.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.3 -37.14 84.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -68.42 -46.15 70.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.12 79.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -65.21 -46.37 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.01 -36.89 85.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.92 -41.03 95.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.443 ' HB1' HG13 ' A' ' 139' ' ' ILE . . . -64.89 -41.32 95.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -67.19 -30.44 70.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.1 m -64.94 -30.99 72.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -94.36 -3.22 50.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.07 29.65 53.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.478 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.443 HG13 ' HB1' ' A' ' 134' ' ' ALA . 45.9 pt -125.05 156.68 69.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.34 150.49 32.62 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.408 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -115.77 127.09 54.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 173.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -125.83 139.94 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.123 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -97.44 133.38 42.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.563 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 6.0 t -135.17 172.36 13.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 177.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 47.1 t -142.6 129.99 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 171.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -59.21 -21.82 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 171.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.05 -64.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 92.8 m -144.77 -44.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -175.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.418 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 75.8 ttt180 -62.67 130.05 43.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -169.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -90.08 121.13 31.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.563 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -136.67 -52.54 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.429 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.427 HG23 HG21 ' A' ' 144' ' ' THR . 56.4 t -55.55 -39.28 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.767 0.318 . . . . 0.0 111.078 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.09 -43.62 82.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -67.17 -34.52 77.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.35 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -62.13 -44.72 96.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 173.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -64.5 -43.97 92.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 92.2 m -66.86 -40.53 87.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.204 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.44 -38.41 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.27 -42.66 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -62.74 -37.67 87.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.08 -36.77 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.4 mt -64.95 -40.34 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.74 -39.2 93.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 -173.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -83.22 -33.39 26.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.411 ' ND1' ' OXT' ' A' ' 166' ' ' HIS . 65.4 t-80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.847 173.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.848 0.356 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.9 m -98.63 124.74 43.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.092 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -92.09 137.0 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -173.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -127.15 140.08 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -97.21 112.56 24.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.5 tp -119.78 128.0 53.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -108.02 132.4 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.251 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -101.57 124.98 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.97 162.12 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.212 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.07 -178.21 40.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.436 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.66 135.52 52.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 111.086 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.12 161.23 50.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.405 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.28 -37.99 3.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.415 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -75.03 -84.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 0.0 111.086 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.67 64.95 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 170.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -66.47 -27.71 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 171.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -66.78 -40.08 88.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.156 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.12 -39.75 93.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.0 m -65.78 -46.97 76.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.77 -38.26 81.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.471 ' HG3' ' HA ' ' A' ' 28' ' ' PHE . 26.7 tt0 -67.13 -49.86 63.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -167.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.67 -46.32 79.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.899 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -64.99 -33.24 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.72 -2.38 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 55.56 42.62 29.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.454 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 85.3 t60 -158.87 140.63 13.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -176.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.471 ' HA ' ' HG3' ' A' ' 22' ' ' GLN . 79.6 m-85 -80.03 122.09 26.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -172.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -134.96 153.05 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -169.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -145.07 23.61 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -109.12 40.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -68.38 152.96 44.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -98.76 114.61 65.59 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.2 145.88 61.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.8 m 50.01 60.0 4.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 tp -122.9 149.8 26.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.212 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.56 9.9 24.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -75.01 85.06 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.2 m -97.95 160.62 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -130.23 145.65 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -167.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -129.19 137.13 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 171.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -145.42 135.89 24.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -174.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -83.13 127.21 33.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -134.92 160.06 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.8 t -112.68 122.14 66.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.177 172.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 88.3 mt -125.6 121.98 61.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 59.65 26.5 15.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -175.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.22 -4.23 84.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.573 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -100.61 129.15 46.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.872 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -80.23 122.09 26.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -173.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.8 m -127.75 154.78 44.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 tp -113.38 112.11 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 173.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.9 tp -96.95 110.78 23.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -169.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -97.66 109.26 22.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 176.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.5 mt -102.28 115.28 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 tp -104.54 118.32 36.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -92.52 120.69 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -79.56 139.93 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.08 139.94 41.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.0 -114.95 5.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -86.73 143.37 27.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.696 0.284 . . . . 0.0 110.994 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -76.68 -36.44 57.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.874 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -97.01 -11.09 24.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.85 80.51 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.8 t -156.79 136.06 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.41 75.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.051 167.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.4 mtm -66.85 -38.57 86.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -61.76 -51.05 69.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.67 -35.08 79.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -173.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -62.16 -51.06 69.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -169.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -77.02 -37.54 54.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.7 mmm -64.04 -23.26 67.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -57.09 -33.52 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.6 p -91.79 -27.32 18.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.06 22.4 76.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.46 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.84 -49.11 77.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.68 162.25 21.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.531 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -149.98 149.75 30.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.4 tp -100.96 131.54 46.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.8 t -106.66 116.48 32.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -174.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.94 130.02 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.422 ' HB2' HD11 ' A' ' 113' ' ' LEU . 56.1 t80 -112.52 144.14 42.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -170.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.42 157.51 37.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -172.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.7 mm -83.25 -40.43 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -100.17 -40.66 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -80.35 100.05 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -171.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.5 m -64.24 -34.25 77.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.078 172.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.36 -21.67 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -173.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.8 m -56.54 -32.95 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.73 -40.18 91.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.86 -39.13 93.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.78 -38.57 91.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 175.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.12 -40.45 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.03 -43.13 95.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.787 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.17 -42.09 97.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -60.21 -43.48 95.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -59.2 -51.0 71.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.59 -32.45 74.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.994 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -65.0 -47.54 77.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.86 -48.03 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.94 -58.97 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -86.31 -56.76 3.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -170.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.1 t -69.25 -41.37 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -168.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.8 -6.51 42.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 54.93 41.05 32.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -100.22 153.24 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.82 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.1 p30 -75.13 -179.9 4.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.774 173.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -65.33 112.88 3.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.5 t -92.32 130.76 36.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 111.093 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -49.86 126.99 17.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.743 2.296 . . . . 0.0 112.374 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.427 ' HE3' HD13 ' A' ' 139' ' ' ILE . 43.0 ttp -146.57 141.58 27.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 77.0 t -131.1 138.15 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.148 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.422 HD11 ' HB2' ' A' ' 82' ' ' PHE . 51.9 tp -93.61 121.95 35.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 91.7 t -117.09 127.71 74.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.14 139.62 15.45 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.46 173.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -99.89 173.51 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 -174.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 60.4 35.02 20.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 171.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 98.1 m -87.2 4.9 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 -176.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -112.46 2.44 16.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.82 170.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.9 mt -104.71 164.3 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.008 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.44 91.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.41 95.43 4.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.041 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -110.08 159.9 16.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.806 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.2 t -80.12 -170.04 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.8 t -46.5 133.34 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -48.39 137.6 11.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -171.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.0 p -57.78 -30.83 65.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -168.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -65.02 -45.32 86.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 176.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.457 HE21 ' HB2' ' A' ' 129' ' ' GLN . 15.0 mt-30 -74.84 -41.18 60.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.95 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -58.0 -49.92 75.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.36 -34.85 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' A' ' 133' ' ' LEU . 0.8 OUTLIER -64.96 -38.6 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 175.454 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.463 ' HB1' HG13 ' A' ' 139' ' ' ILE . . . -68.39 -34.94 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 173.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -65.21 -25.1 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.3 p -65.02 -22.84 67.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.41 ' HB2' HG12 ' A' ' 139' ' ' ILE . 26.2 m-85 -104.93 -0.56 26.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.24 28.82 67.41 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.463 HG13 ' HB1' ' A' ' 134' ' ' ALA . 45.1 pt -120.83 157.3 55.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.688 0.756 . . . . 0.0 111.129 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.35 154.14 31.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.356 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -112.23 128.84 56.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.95 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 44.5 mm -121.0 136.13 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.407 ' O ' ' HA3' ' A' ' 151' ' ' GLY . 56.1 mt-10 -102.77 126.98 50.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.2 t -136.9 176.38 8.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 149' ' ' ARG . 31.0 t -148.9 136.01 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 177.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.93 -12.87 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.054 168.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -94.92 -68.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 -168.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.6 p -138.66 -38.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -173.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 145' ' ' SER . 76.6 ttt180 -81.82 103.7 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 -170.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -75.01 121.37 21.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 143' ' ' GLU . . . -131.63 -48.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 174.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 5.7 p -56.62 -28.24 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 0.0 111.16 -168.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.28 -44.48 71.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -67.33 -35.3 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.976 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.34 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -65.59 -42.23 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -64.34 -44.57 91.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 87.5 m -67.65 -43.59 79.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.159 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.03 -44.12 90.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.994 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.86 -38.01 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -55.06 -43.05 73.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 172.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.92 -38.07 82.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.62 -37.28 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -61.95 -26.9 68.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -84.55 -47.01 11.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.793 178.147 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.5 m -111.14 134.86 52.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -90.84 128.73 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -117.62 117.5 29.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -97.87 109.89 22.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.817 -175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.6 tp -106.6 130.04 54.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -105.49 120.41 56.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 168.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.8 t -99.98 124.96 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.9 t -130.42 143.29 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.23 178.08 45.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.22 122.64 25.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 111.043 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.75 141.83 30.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.02 -75.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.2 t -80.44 -49.66 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.85 58.36 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -52.91 -48.62 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.714 0.292 . . . . 0.0 110.838 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -64.95 -39.91 94.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.815 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.68 97.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 61.0 tp -66.37 -40.14 89.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.985 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.436 HG21 ' HB2' ' A' ' 57' ' ' ASP . 97.0 m -66.89 -44.56 80.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -72.77 -37.55 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 -173.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.8 pp0? -65.0 -23.19 67.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.9 tp -70.8 -48.71 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.446 HG23 ' HG2' ' A' ' 25' ' ' GLN . 10.2 tp -78.07 -26.51 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -176.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 97.9 mm-40 -101.57 -23.94 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -176.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.9 m-20 70.19 14.82 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -140.97 146.66 37.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -92.06 120.55 32.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.39 160.78 33.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.08 -25.25 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.1 133.43 48.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -122.27 164.3 18.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -90.1 113.34 56.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.7 168.49 24.66 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.5 p -53.78 -27.24 27.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -76.24 124.36 34.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 170.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -48.93 109.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.799 -173.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -122.82 76.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.9 p -74.98 156.72 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.756 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -124.57 143.38 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.914 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -130.51 139.98 50.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -157.44 136.49 11.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -89.92 127.31 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.9 m -138.24 164.93 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.091 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.0 t -99.78 122.66 51.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 174.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.3 mt -122.61 122.27 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 58.61 30.41 19.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.89 -0.77 89.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.424 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -109.08 129.28 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.925 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -79.11 128.14 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.2 p -146.2 167.39 23.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.1 tp -116.93 120.99 40.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.4 mt -104.35 131.71 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -123.31 109.9 14.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 172.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.42 HD12 ' HB ' ' A' ' 24' ' ' ILE . 75.9 mt -113.24 126.63 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 -171.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 tp -116.26 122.37 44.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' HB2' HG21 ' A' ' 20' ' ' THR . 37.0 t70 -85.21 133.77 34.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.8 173.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.2 p -86.75 158.43 19.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.39 131.33 15.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.069 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.61 62.39 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.2 pm0 -64.16 -18.89 64.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 110.876 -173.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.98 -36.4 77.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.3 mt-10 -118.47 42.52 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 -173.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.547 ' C ' ' O ' ' A' ' 63' ' ' GLU . 66.9 m-85 -27.1 125.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.963 -175.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.1 t -79.96 148.99 30.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.793 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.79 -27.71 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.074 172.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.8 mtm -66.52 -36.95 83.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.884 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -76.98 -38.01 54.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 72' ' ' MET . 99.1 m-20 -59.79 -29.18 68.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -55.26 -52.19 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -74.0 -35.83 64.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.415 ' HB2' ' HA ' ' A' ' 69' ' ' ASP . 74.2 mtp -63.49 -38.32 90.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -176.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -69.76 -32.52 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.981 0.42 . . . . 0.0 110.923 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.5 m -72.96 -47.98 40.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.584 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 75.1 27.28 64.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.413 166.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -50.78 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.78 151.86 20.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.464 168.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -144.05 126.79 16.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 0.0 110.812 -175.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.3 tp -111.38 125.09 53.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.882 -176.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.5 m -106.23 116.85 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.1 t -114.32 125.16 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' HB2' ' OG ' ' A' ' 89' ' ' SER . 44.6 p90 -147.51 162.19 39.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -84.55 140.0 31.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.7 tp -80.4 -20.13 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' A' ' 121' ' ' ALA . 55.6 p30 -104.37 -15.82 15.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -173.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.521 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 38.4 t-20 -88.32 113.33 23.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 172.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.5 m -64.27 -44.27 92.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.7 -28.93 68.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.407 ' OG ' ' HB2' ' A' ' 82' ' ' PHE . 9.6 t -58.24 -33.19 69.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -61.03 -42.63 98.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.26 -33.02 71.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.64 -30.46 67.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -176.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.8 mm -62.31 -44.22 98.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -63.52 -42.75 98.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.791 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HB2' HE21 ' A' ' 95' ' ' GLN . 20.8 mt-30 -65.09 -47.36 77.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -64.43 -42.4 96.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.28 -50.32 74.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.032 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -71.66 -40.83 69.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -67.86 -47.64 68.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.6 mt -56.85 -46.94 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.76 -44.01 81.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -70.39 -43.4 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.07 -41.99 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 -173.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -87.33 -2.21 58.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 55.0 43.04 30.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 172.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.1 m -135.99 174.11 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -176.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -75.04 175.97 7.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -177.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -84.49 121.01 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.584 HG11 ' HA3' ' A' ' 75' ' ' GLY . 31.4 m -95.92 155.68 38.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 111.139 -174.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.83 135.94 46.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.611 2.208 . . . . 0.0 112.311 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 24.2 ptp -147.05 159.98 42.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.7 t -121.97 133.92 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.156 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.2 mp -96.93 127.28 42.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.2 t -124.6 126.92 72.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -86.51 136.45 14.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -110.05 166.73 10.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 58.84 57.04 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 173.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.0 m -86.58 -27.08 24.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -103.02 -9.86 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 79.1 mt -101.69 130.47 48.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.48 ' HB3' ' ND2' ' A' ' 85' ' ' ASN . . . 49.53 85.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.048 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.54 142.61 48.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -120.06 178.24 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.872 -172.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.5 p -125.03 73.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 168.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 83.9 t -120.26 134.25 64.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -69.17 122.34 18.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.8 p -64.87 -26.54 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.85 -39.27 91.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -68.32 -45.15 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.91 96.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 131' ' ' GLN . 11.2 mt-30 -69.51 -45.49 68.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.437 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 89.4 m-20 -59.93 -30.16 68.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.818 -178.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 68.6 tp -58.24 -47.07 84.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 141' ' ' TYR . . . -73.61 -33.44 64.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 176.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.437 ' HB2' ' HA ' ' A' ' 132' ' ' ASP . 99.2 mtt180 -65.5 -32.04 73.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -177.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.2 p -65.12 -23.91 67.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -102.83 4.69 38.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.957 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.7 38.89 41.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.0 tp -143.19 132.24 11.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.089 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.72 147.32 24.73 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.707 2.272 . . . . 0.0 112.393 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.499 ' HB2' ' HB3' ' A' ' 134' ' ' ALA . 57.4 t80 -107.36 133.58 51.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -172.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 96.4 mt -116.98 132.31 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -110.0 128.77 55.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.974 173.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.8 t -150.39 -179.87 7.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.455 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 58.2 m -129.87 121.41 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 171.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.71 -25.96 66.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 -172.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.19 -50.01 65.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -171.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.4 p -124.78 -16.78 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -169.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.455 ' HB2' ' H ' ' A' ' 145' ' ' SER . 93.5 mtt-85 -113.32 147.94 36.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -169.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -99.91 110.32 22.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 168.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.2 -27.67 2.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.42 174.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.53 -26.84 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.163 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.78 -47.2 86.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.887 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.89 -35.17 79.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.55 94.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.46 -37.85 83.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -61.52 -36.89 81.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.2 m -63.45 -42.68 98.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 74.1 mt -61.74 -41.8 98.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.83 -43.88 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.069 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.49 -40.14 96.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -65.04 -41.28 95.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.54 -41.4 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.5 -34.37 78.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -70.68 -44.52 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 62.1 m170 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.1 m -79.47 130.1 35.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.071 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -97.88 130.59 44.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -119.59 127.76 53.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.6 100.02 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.801 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.667 ' CD2' ' HA3' ' A' ' 77' ' ' GLY . 44.3 mt -109.39 125.81 52.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -169.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.7 t -103.88 124.01 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.17 128.67 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m -123.0 161.67 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.06 152.37 5.63 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.31 142.48 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.129 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.51 132.38 27.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.541 175.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.03 -54.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.587 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.6 t -108.13 -57.01 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.88 55.05 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 2.1 tmmm? -50.27 -66.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.6 t -69.98 -39.94 75.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.7 94.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -170.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 87.2 mt -65.84 -33.17 75.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.0 m -70.87 -41.88 70.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.0 mt -67.83 -40.91 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -174.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.8 pp0? -62.78 -24.01 67.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -172.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.6 tp -66.18 -44.32 84.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 97.2 mt -80.85 -36.76 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.099 -175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 99.5 mm-40 -96.67 -12.46 23.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -175.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.7 m-20 69.2 15.08 8.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -140.38 139.31 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -102.09 119.74 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 m -124.93 165.13 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -78.49 -11.95 59.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.71 152.41 37.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -137.64 162.5 33.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.979 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -64.78 115.13 17.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.552 0.691 . . . . 0.0 110.902 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.27 166.47 28.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.741 2.294 . . . . 0.0 112.314 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.5 p -55.28 -27.53 47.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 172.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.66 131.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 173.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -47.36 111.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.833 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -142.64 62.77 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 172.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -77.22 158.13 30.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -126.49 144.71 50.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -122.72 141.06 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.888 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -141.49 129.51 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -95.08 123.64 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -137.47 159.96 35.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -173.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -107.73 121.08 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 170.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.2 mt -123.34 121.08 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 56.09 32.4 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.65 -2.07 88.34 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -102.09 118.85 37.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.9 m -77.18 129.18 35.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.157 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.9 p -148.64 160.0 43.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.1 tp -111.96 121.73 45.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.2 mt -94.94 110.17 22.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -94.87 108.3 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 174.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.9 mm -105.92 119.2 54.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.081 -168.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 68' ' ' ARG . 69.7 tp -116.92 117.01 28.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.963 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -89.75 139.63 30.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.487 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 67.6 p -85.78 147.35 26.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -155.82 129.67 8.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.049 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.53 49.88 57.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.422 -169.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -59.79 -22.42 62.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.682 0.277 . . . . 0.0 110.812 -167.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.0 -30.27 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.593 ' O ' ' C ' ' A' ' 64' ' ' TYR . 67.7 mm-40 -99.96 33.94 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.593 ' C ' ' O ' ' A' ' 63' ' ' GLU . 66.2 m-85 -20.9 108.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.6 p -79.63 154.85 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.98 -32.83 74.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.065 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -63.82 -44.9 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.881 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.487 ' HE ' ' HA ' ' A' ' 58' ' ' THR . 71.2 mtt85 -75.46 -29.75 59.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.897 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.74 -31.3 72.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.93 -51.53 69.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -72.56 -35.61 68.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.403 ' SD ' HG23 ' A' ' 100' ' ' ILE . 59.9 ttm -64.87 -43.15 93.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -69.75 -30.45 68.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -174.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.9 m -78.68 -49.93 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.88 27.73 64.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.487 165.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -46.79 -48.57 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -177.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.667 ' HA3' ' CD2' ' A' ' 6' ' ' LEU . . . -141.91 153.9 24.54 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 172.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -144.99 116.14 7.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -171.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.3 tp -117.71 125.07 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.465 ' HB3' HD23 ' A' ' 113' ' ' LEU . 42.4 t -107.25 121.36 44.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.1 t -105.29 128.01 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -147.98 178.28 8.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.96 138.22 40.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.6 mt -79.68 -29.94 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -83.67 -19.67 34.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -91.51 115.0 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.0 m -65.91 -43.52 87.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.29 -27.43 67.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.1 t -59.07 -35.92 74.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -66.29 -37.65 85.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -71.45 -32.62 68.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.54 -43.41 98.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.0 pt -73.59 -24.91 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -61.78 -43.25 99.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 169.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HB2' HE21 ' A' ' 95' ' ' GLN . 14.4 mt-30 -68.89 -40.11 79.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 177.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -54.16 -45.09 71.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -57.26 -51.98 67.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.916 -173.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -70.71 -45.16 65.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.444 ' O ' HG23 ' A' ' 103' ' ' VAL . 31.2 tt0 -65.71 -49.04 69.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -174.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.403 HG23 ' SD ' ' A' ' 72' ' ' MET . 90.7 mt -60.2 -42.55 90.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 176.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.95 -43.21 91.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.971 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -65.7 -37.49 86.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 99' ' ' GLN . 64.2 t -67.48 -43.3 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -80.74 -10.28 59.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 55.99 37.39 28.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 174.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.5 m -135.81 171.26 14.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -174.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -77.16 -179.93 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -81.98 109.63 16.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.801 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' A' ' 111' ' ' MET . 31.6 m -85.84 160.95 51.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 111.089 177.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -52.06 128.51 27.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 177.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 109' ' ' VAL . 65.0 mtt -125.2 159.18 32.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.3 t -131.55 136.65 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 163.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' A' ' 80' ' ' CYS . 82.0 mt -98.17 123.84 42.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 175.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 114' ' ' VAL . 10.7 p -125.22 126.12 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 177.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.1 142.14 17.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -97.59 170.05 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.917 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 68.04 40.77 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 53.8 t -67.38 -45.65 75.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 171.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -104.09 -14.03 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.6 mt -95.31 163.18 13.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 54.96 84.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 177.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.55 113.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.426 ' HG3' ' H ' ' A' ' 124' ' ' THR . 20.4 tpt85 -139.74 172.37 12.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.426 ' H ' ' HG3' ' A' ' 123' ' ' ARG . 61.7 p -120.54 73.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 174.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 96.5 t -118.49 118.49 58.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 173.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -70.68 126.92 30.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.1 m -63.94 -33.52 75.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.88 -39.68 93.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -67.07 -47.41 71.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.91 82.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -66.28 -45.47 80.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.13 -34.24 76.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.52 -39.3 93.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.011 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.621 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -67.18 -38.39 85.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -66.14 -29.88 70.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -174.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.1 p -64.61 -23.94 67.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -105.0 -1.14 26.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.35 28.83 67.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.621 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 90.0 mt -112.61 131.15 22.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.624 0.726 . . . . 0.0 111.115 -173.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.07 144.52 68.71 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.739 2.293 . . . . 0.0 112.266 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -115.96 120.57 39.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.1 mm -118.01 132.27 68.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -109.85 134.5 51.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.457 ' CB ' ' HA3' ' A' ' 151' ' ' GLY . 14.6 t -143.04 177.58 8.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.489 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 36.5 t -143.16 123.21 13.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.45 -20.93 49.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HG2' HG23 ' A' ' 148' ' ' THR . 86.0 tttt -55.76 -63.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 147' ' ' LYS . 62.2 p -133.19 -21.65 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.489 ' HB2' ' H ' ' A' ' 145' ' ' SER . 93.7 mtt-85 -79.0 134.62 36.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -167.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -89.64 111.02 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 165.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -110.47 -29.9 3.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.41 -41.0 91.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 111.16 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.31 -48.43 81.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.93 -35.32 80.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.18 94.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -63.54 -41.7 98.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -64.41 -40.96 96.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.5 m -66.93 -39.17 87.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 173.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.47 -46.86 81.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -173.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.26 -28.31 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.38 -41.16 94.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 172.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -68.69 -35.91 77.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.41 -42.66 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -71.77 -22.71 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -80.0 -59.95 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.807 -177.483 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.4 m -92.8 120.76 33.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.16 143.08 51.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -116.74 129.58 56.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.023 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -99.98 115.17 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -111.53 127.92 55.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.924 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.0 t -105.7 123.24 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.7 t -98.73 120.8 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.1 t -133.32 142.79 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.621 ' HA3' ' HB ' ' A' ' 81' ' ' VAL . . . 173.14 -174.39 45.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HB3' HG21 ' A' ' 14' ' ' VAL . . . -67.49 137.5 55.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.116 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.32 141.91 34.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.07 17.95 73.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.461 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.461 HG21 ' HB3' ' A' ' 11' ' ' ALA . 88.1 t -104.74 -63.79 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.118 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.37 54.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -77.13 -48.15 18.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.802 0.334 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.406 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 39.8 t -71.22 -41.33 70.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.771 171.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.88 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -171.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.61 -33.06 73.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.6 m -64.46 -42.19 96.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.43 -38.4 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.631 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 5.4 tp-100 -60.09 -31.42 70.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.59 -45.97 18.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 175.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.0 mm -80.04 -51.43 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -170.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -97.96 -22.88 16.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.482 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 14.7 m120 69.54 34.97 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 175.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -159.84 142.15 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -89.29 116.42 27.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.801 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.72 166.48 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -88.01 8.3 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -89.99 79.06 6.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 24.8 t80 -80.65 135.8 36.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -61.98 145.4 92.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.688 . . . . 0.0 110.896 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.89 158.45 51.12 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -40.56 -52.14 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -107.89 130.01 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -158.89 155.72 28.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -76.22 171.39 14.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.418 ' HB3' HD13 ' A' ' 56' ' ' LEU . 99.7 p -80.05 160.9 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -124.67 143.81 50.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -133.14 144.45 49.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 -171.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -150.44 142.27 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -69.96 124.4 23.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -137.28 164.97 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.41 120.13 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 172.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -125.23 121.59 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t0 57.02 35.34 26.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -174.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.67 -0.76 85.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.539 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -108.06 130.08 55.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.88 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -70.7 127.49 32.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 175.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.3 p -152.9 173.75 14.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.9 tp -105.02 120.04 40.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.5 tp -97.82 114.94 27.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -108.61 112.53 24.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.1 mt -107.31 122.23 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -172.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD13 ' HB3' ' A' ' 39' ' ' SER . 51.3 tp -110.47 124.79 52.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.986 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -86.14 150.22 24.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.1 p -88.5 164.28 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 62' ' ' GLU . . . -139.46 85.51 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.77 -117.08 9.73 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.547 176.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -85.65 -11.18 54.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.94 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 70.9 mm-40 -73.19 -9.23 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 174.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -54.38 -20.03 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -109.96 77.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -137.15 176.33 8.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.28 75.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.187 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.5 mtp -65.05 -42.34 94.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 177.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.412 ' HD3' HD21 ' A' ' 56' ' ' LEU . 1.8 mpp_? -76.22 -32.41 58.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -176.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.8 -39.56 94.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.45 -47.19 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -176.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -76.31 -46.54 27.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.985 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.1 tpt -65.13 -31.89 73.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.813 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.13 -39.28 92.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 63.4 m -80.03 -46.62 16.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.44 27.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 168.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -74.22 -46.0 44.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.76 162.59 28.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.457 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -153.39 129.17 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -175.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.5 tp -111.56 126.01 54.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.946 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 76.6 m -103.31 122.41 44.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.621 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 58.4 t -108.41 118.46 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 -174.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.19 146.55 39.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.29 151.13 21.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.423 HG13 ' HB2' ' A' ' 123' ' ' ARG . 2.5 tp -89.17 -26.08 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -177.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.4 p-10 -97.14 -38.79 9.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -173.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -84.96 99.97 11.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -59.26 -36.44 75.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.51 -24.95 67.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -58.46 -37.53 75.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.913 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -63.28 -43.2 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.95 -42.94 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.23 -40.91 94.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.73 -39.93 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -57.83 -44.03 86.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.417 HE21 ' HB2' ' A' ' 95' ' ' GLN . 17.1 mt-30 -65.06 -41.22 95.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 176.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -59.71 -38.27 81.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -57.98 -48.33 80.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.53 -33.78 74.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -65.38 -45.42 84.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.984 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.44 -42.22 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.51 -43.69 80.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.98 -37.74 84.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.895 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.99 -40.07 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -84.46 -15.95 44.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 177.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 61.76 29.35 18.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -173.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.9 t -176.7 145.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.812 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -136.13 104.95 5.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -136.57 75.66 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 173.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.44 130.06 6.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.681 0.753 . . . . 0.0 111.067 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.5 134.22 23.96 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.629 2.22 . . . . 0.0 112.347 172.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 23.4 ptp -135.11 154.96 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -174.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.43 ' HA ' HD13 ' A' ' 139' ' ' ILE . 9.7 p -128.18 139.98 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.7 mt -97.85 116.25 29.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.006 -173.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.9 t -126.8 125.62 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.22 144.12 16.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.543 175.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -98.76 170.01 9.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 54.36 35.37 22.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.2 m -75.01 -8.59 56.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -94.89 0.92 55.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 tp -80.62 121.64 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.17 93.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.71 86.47 4.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.04 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.423 ' HB2' HG13 ' A' ' 84' ' ' ILE . 35.7 ptt-85 -145.34 155.22 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.855 -176.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.0 p -132.97 75.02 1.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 67.9 t -124.21 115.0 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -82.15 126.93 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 174.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.2 p -62.87 -29.85 71.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.72 -36.51 84.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -66.44 -45.26 80.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.66 95.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -66.61 -46.41 75.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.38 -41.93 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.82 -41.17 83.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.06 91.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.68 -32.88 70.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 71.5 m -67.45 -34.06 76.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -103.73 -0.79 28.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.34 34.09 86.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 112' ' ' VAL . 20.4 tt -156.32 132.36 5.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.708 0.766 . . . . 0.0 111.128 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 74.2 Cg_exo -54.97 147.62 51.54 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 -178.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -84.95 132.9 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 43.1 mm -109.25 133.23 55.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 -172.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -107.13 129.7 54.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.415 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 14.9 t -141.97 165.85 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 176.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.436 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 27.6 t -135.85 116.21 13.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 168.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.85 -22.34 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.121 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' A' ' 148' ' ' THR . 85.8 tttt -60.0 -62.85 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -174.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 147' ' ' LYS . 77.0 p -130.17 -24.51 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.436 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 45.0 ttt85 -90.02 130.01 36.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -166.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -96.76 101.0 12.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.415 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -109.03 -8.55 27.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.74 -41.32 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -57.29 -44.3 83.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.29 -39.92 89.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.63 94.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -65.27 -42.74 92.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -62.76 -40.22 96.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.965 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 92.5 m -68.97 -40.01 79.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.78 -47.73 82.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.999 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.94 -32.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.198 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.22 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -69.96 -35.51 74.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.01 -46.55 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.94 -23.01 63.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -174.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -89.69 -50.08 6.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.962 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.2 m -89.26 127.06 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.14 140.31 53.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -115.08 130.46 56.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.937 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -112.08 104.88 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -176.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.3 tp -104.95 116.42 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.6 t -99.86 119.41 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.9 t -106.53 117.0 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.53 142.16 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.073 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.73 -166.79 36.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.95 119.24 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.141 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.09 153.01 30.33 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.86 5.84 83.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 175.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.2 t -101.79 -70.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.813 0.339 . . . . 0.0 111.154 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.54 54.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.555 170.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -70.43 -53.25 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.7 p -68.17 -32.75 73.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.791 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 29' ' ' VAL . . . -63.09 -38.25 90.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.595 HD11 ' HA3' ' A' ' 151' ' ' GLY . 36.7 tp -67.58 -41.59 83.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.8 p -68.15 -17.47 64.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.5 mm -56.23 -30.04 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 3.2 tp-100 -56.57 -39.78 74.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.86 -38.68 37.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mm -80.74 -52.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 -171.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.569 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 93.0 mm-40 -107.08 -14.99 14.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -172.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.569 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.5 m-20 80.04 36.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 172.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -158.15 165.02 36.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 171.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 22' ' ' GLN . 73.9 m-85 -104.91 128.6 53.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -177.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.503 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 30.5 m -133.16 160.0 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.053 172.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -100.27 9.97 41.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -94.18 94.12 8.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -90.02 161.22 15.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.999 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.432 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 95.4 m-20 -66.61 149.97 97.78 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.522 0.677 . . . . 0.0 110.932 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -50.25 154.01 6.31 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.626 2.218 . . . . 0.0 112.392 173.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 m -46.42 -42.02 14.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.0 mt -108.1 107.09 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.15 172.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HB3' ' HB3' ' A' ' 33' ' ' ASP . 7.3 tp10 -170.02 153.29 4.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -178.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -82.51 169.98 15.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.8 p -111.16 174.27 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -112.23 152.6 28.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -162.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.2 ptp85 -129.25 150.12 50.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.856 174.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -146.83 136.65 23.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -172.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -76.43 124.24 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 173.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.6 161.88 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -171.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -107.33 123.73 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 171.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.23 118.97 56.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 55.0 34.26 22.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -176.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.11 -3.06 87.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.506 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -97.27 122.09 39.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -79.31 124.98 28.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 177.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.6 p -152.88 171.18 18.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -172.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -105.7 120.95 42.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.3 tp -97.87 111.1 23.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -102.32 112.7 25.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.1 mt -104.75 117.98 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -104.82 110.67 23.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -100.0 128.09 46.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.8 p -94.64 160.66 14.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.52 133.14 27.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.2 -115.25 7.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.467 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -108.18 16.77 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -65.29 -31.52 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.7 pm0 -60.31 -20.88 60.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -172.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -94.92 87.87 5.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 174.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.9 p -165.15 163.08 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.53 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mmm -64.03 -37.11 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -79.84 -36.07 37.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.07 -39.3 71.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -55.52 -44.35 76.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -74.22 -35.56 63.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.0 mmm -66.27 -25.8 67.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -60.93 -33.36 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.6 m -87.04 -50.02 6.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.594 ' HA3' HG22 ' A' ' 109' ' ' VAL . . . 73.6 39.71 48.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 166.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -61.65 -57.58 11.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.18 158.33 27.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 176.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -143.55 127.79 17.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.5 tp -110.43 121.02 44.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.964 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.0 t -105.59 115.86 30.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 178.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.57 123.67 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -170.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -110.6 152.84 25.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.7 135.87 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 164.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.5 pt -87.48 -13.83 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -170.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -94.87 -38.89 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 -177.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -88.3 103.62 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.4 m -58.93 -37.55 76.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.27 -27.41 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -174.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.1 m -60.56 -38.46 84.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -63.32 -43.69 97.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.815 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.29 -43.46 70.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.68 -42.25 95.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.0 -40.11 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -56.87 -43.92 81.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -64.96 -41.95 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -57.05 -40.93 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -62.67 -43.13 99.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.864 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.02 -38.77 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -65.9 -46.4 78.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.22 -41.58 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.92 -41.76 83.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.72 -35.12 79.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.39 -40.06 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -88.39 -12.86 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 62.29 25.64 15.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -175.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.2 t -179.1 147.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -121.93 110.76 16.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 171.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -129.96 36.26 4.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 171.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.594 HG22 ' HA3' ' A' ' 75' ' ' GLY . 80.8 t -119.41 121.52 30.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.697 0.761 . . . . 0.0 111.086 -174.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -68.64 136.61 36.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 27.8 ptm -138.83 153.47 48.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.1 t -125.02 136.27 61.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.45 HD13 ' HG ' ' A' ' 133' ' ' LEU . 31.5 mt -95.2 114.57 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -174.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.3 t -129.56 129.82 66.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.81 151.23 18.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 170.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -100.02 170.09 8.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 58.12 45.09 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 174.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.2 p -67.17 -17.58 64.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.914 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -93.44 0.63 56.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.1 tp -85.08 119.77 25.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.14 89.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.066 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.22 119.43 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -165.84 153.5 10.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.4 p -135.05 70.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.9 t -124.58 119.77 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -78.76 132.84 37.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.8 p -63.56 -31.86 73.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.97 -37.47 87.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.405 ' HB2' HE21 ' A' ' 129' ' ' GLN . 21.5 mt-30 -66.92 -42.78 84.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 175.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.0 94.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -65.11 -49.78 68.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.08 -35.31 79.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.45 ' HG ' HD13 ' A' ' 113' ' ' LEU . 55.1 tp -62.79 -46.03 89.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.21 94.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.21 -31.7 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 96.0 p -67.67 -29.9 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.783 -176.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -109.49 -1.12 18.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -178.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.51 29.06 71.72 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.407 175.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 139' ' ' ILE . 4.3 tp -149.98 126.76 5.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.7 0.762 . . . . 0.0 111.122 -176.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 72.6 Cg_exo -54.83 145.01 63.69 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.287 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -94.6 125.82 39.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 48.1 pt -120.23 148.64 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.115 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -106.28 128.61 54.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 30.4 p -134.4 178.84 6.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.208 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.443 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 46.4 t -138.5 122.11 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 173.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.91 63.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.161 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -73.91 -52.15 13.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -166.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 66.6 p -129.38 -27.78 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.2 -171.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.443 ' HB2' ' H ' ' A' ' 145' ' ' SER . 40.0 mmt180 -88.24 151.26 22.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -164.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 116.42 10.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 176.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.595 ' HA3' HD11 ' A' ' 19' ' ' LEU . . . -125.58 -98.23 1.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 -172.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.455 ' HB ' ' HG ' ' A' ' 19' ' ' LEU . 13.3 p -53.55 -30.27 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 -173.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -56.26 -47.59 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.55 -41.67 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.52 93.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.89 -37.32 84.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -59.87 -40.94 90.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.3 m -62.03 -42.85 99.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.32 -46.39 83.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -176.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 32.7 m -73.25 -28.03 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.45 -39.66 94.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.84 -39.95 83.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.34 -45.89 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -70.51 -41.72 72.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.819 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -74.73 -35.03 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 174.746 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.4 m -92.46 123.59 35.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -125.61 145.03 50.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.845 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -118.54 111.54 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.001 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.14 100.11 12.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.1 tp -107.53 119.76 40.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.7 t -98.58 118.99 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.15 125.05 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.1 m -134.18 156.25 40.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.468 ' HA3' ' HB ' ' A' ' 81' ' ' VAL . . . -172.76 -177.1 41.86 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.66 136.91 50.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.094 -173.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.79 93.84 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.42 11.55 3.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 172.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -92.13 -65.96 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.04 72.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.491 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -73.96 -49.97 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 -170.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -65.11 -40.02 93.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.04 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.48 -38.07 88.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.438 ' HB ' HG21 ' A' ' 55' ' ' ILE . 76.0 p -65.15 -26.51 68.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -176.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.34 -27.88 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.504 ' HG3' ' HB2' ' A' ' 153' ' ' GLU . 34.3 tp60 -56.23 -32.76 64.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.39 -42.76 29.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mm -80.03 -56.82 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -166.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -113.15 -5.08 13.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 14.1 m120 68.36 48.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 175.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -159.97 147.46 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -176.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -103.99 120.89 42.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 173.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.03 154.28 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 -168.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -98.19 -21.14 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -81.05 82.69 6.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -73.38 142.15 46.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -169.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -69.85 153.58 95.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -60.4 156.47 40.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.7 m -45.66 -45.02 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.911 -174.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -101.02 126.87 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 175.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -159.55 154.85 25.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -75.28 170.03 16.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.6 p -83.45 170.2 14.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -122.05 145.63 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.86 147.24 51.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -150.95 134.62 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -73.9 124.95 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 53' ' ' LEU . 32.6 m -137.61 166.06 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 -175.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -107.69 122.57 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 171.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 87.8 mt -127.12 127.15 69.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 89.9 m-20 64.63 22.64 12.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -175.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.44 0.76 89.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -108.98 131.27 55.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.91 0.386 . . . . 0.0 110.85 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.4 m -68.6 129.22 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.196 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 p -153.76 174.95 13.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.1 tp -106.57 123.74 48.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' HB2' HG21 ' A' ' 44' ' ' VAL . 57.7 tp -94.24 118.07 31.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -108.12 116.4 31.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.438 HG21 ' HB ' ' A' ' 20' ' ' THR . 42.7 mm -100.77 117.85 46.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.486 ' C ' HD13 ' A' ' 56' ' ' LEU . 3.3 tm? -100.01 115.46 29.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -102.69 132.6 48.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 174.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 p -80.79 158.0 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -144.78 86.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.26 -110.98 3.78 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -96.08 2.12 53.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -62.97 -32.08 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -59.42 -21.03 59.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -97.46 77.82 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.027 174.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -151.38 165.46 34.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.53 -32.44 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.7 mtp -64.37 -42.84 95.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -79.98 -24.25 41.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.35 -36.52 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -65.12 -43.44 91.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -63.85 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.6 tpp -68.46 -34.16 75.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.896 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -60.35 -36.3 77.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -175.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -87.5 -53.31 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.212 173.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.31 29.98 75.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.479 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -44.06 -48.98 8.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -170.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.75 154.42 25.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.452 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -130.09 132.42 46.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.915 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 57.9 tp -110.18 126.41 54.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.7 m -105.63 124.4 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.468 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 95.6 t -106.71 134.12 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.452 ' HB2' HD11 ' A' ' 113' ' ' LEU . 92.9 t80 -123.22 138.76 54.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.81 134.17 42.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 175.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.1 tp -79.67 -20.05 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -98.87 -36.23 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -82.71 101.36 10.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.2 m -57.89 -36.37 72.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.17 -26.21 60.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.9 t -52.52 -37.42 57.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -175.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -59.58 -42.92 93.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.57 -37.02 86.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 87.1 m-20 -64.08 -48.65 75.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.9 pt -72.66 -25.61 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.6 -50.24 72.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 8.4 pt20 -70.09 -30.18 67.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -59.8 -45.4 92.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -62.27 -46.2 89.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.44 -38.82 88.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.51 -47.24 79.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.5 mt -56.15 -43.52 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.216 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.03 -45.12 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -65.61 -39.02 91.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -171.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.85 -39.6 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -95.85 -7.3 37.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 60.51 30.45 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 t -174.98 143.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -174.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -135.99 110.59 8.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 173.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -135.35 48.34 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 168.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.87 120.38 19.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 111.141 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.0 131.79 48.51 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 65.5 mtt -121.87 153.81 37.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.6 134.4 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 82' ' ' PHE . 37.9 tp -103.64 125.04 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 178.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 114' ' ' VAL . 8.5 p -119.33 125.02 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.06 137.42 13.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.555 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -94.69 156.74 16.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 99.4 mttt 46.49 50.8 12.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.5 p -68.94 -17.48 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -91.89 -3.85 55.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.506 ' HB2' ' HB3' ' A' ' 117' ' ' LYS . 55.7 tp -65.13 130.43 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -89.63 -34.29 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.003 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.26 85.37 7.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.081 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -159.98 173.18 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 -175.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.2 p -125.09 24.37 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.136 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.39 133.52 52.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -85.41 129.6 34.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 167.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 84.5 p -62.21 -28.74 69.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -175.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.85 -38.34 90.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.934 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -68.73 -43.34 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.48 -34.92 73.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 177.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -64.74 -45.27 87.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -63.36 -33.74 76.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.86 -36.65 80.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.949 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.04 77.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 172.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.27 -32.48 73.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.5 p -67.62 -22.52 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.402 ' HB2' HG12 ' A' ' 139' ' ' ILE . 77.9 m-85 -99.18 -4.03 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.85 26.9 65.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.42 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.402 HG12 ' HB2' ' A' ' 137' ' ' TYR . 43.2 pt -125.17 153.4 71.66 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.68 0.752 . . . . 0.0 111.034 -174.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.29 151.67 54.66 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -118.77 129.39 55.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 73.0 mt -117.88 134.89 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.05 115.51 27.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 41.7 p -135.22 -179.78 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -154.04 118.16 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.809 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.09 -22.89 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.066 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -71.63 -50.87 26.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -171.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 80.7 p -125.12 -20.85 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 -171.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -105.72 172.34 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -170.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.82 132.59 33.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 166.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -115.23 -82.52 1.03 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -173.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.46 -39.95 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 111.119 -176.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.504 ' HB2' ' HG3' ' A' ' 22' ' ' GLN . 88.5 tt0 -56.87 -45.16 82.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -66.97 -41.93 86.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.66 85.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.33 -40.26 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -61.46 -40.11 93.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 98.1 m -66.96 -40.57 87.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.102 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.5 mt -59.33 -45.44 91.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.22 -45.03 99.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.05 -47.21 83.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -79.3 -48.0 14.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -174.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.0 -46.58 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 -172.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -71.59 -24.58 61.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -80.0 -60.01 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -177.566 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.889 0.376 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -96.96 117.93 32.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -142.62 120.44 11.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -119.74 142.33 48.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 175.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -103.64 112.21 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mp -116.55 132.48 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.703 HG21 ' HB3' ' A' ' 71' ' ' TYR . 53.0 t -119.41 132.5 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 178.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.9 t -98.26 119.91 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.64 165.71 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.4 -173.43 41.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.419 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.01 145.1 54.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 111.036 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.45 130.69 40.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.68 -21.46 40.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 175.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.63 -69.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 111.042 -172.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.94 69.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.444 174.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -50.01 12.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.7 m -72.77 -29.89 63.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.91 -39.2 68.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 tp -69.62 -45.33 68.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.9 p -65.76 -30.98 71.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.1 mm -75.95 -37.99 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 172.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 28.5 tp60 -63.99 -38.11 89.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.973 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.3 -48.19 20.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -88.58 -46.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -170.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -101.1 -9.12 21.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -174.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 96.3 m-20 68.65 34.27 3.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -135.67 149.42 49.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -112.96 105.3 13.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 174.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.22 160.6 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.198 -171.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -95.31 9.39 40.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -82.01 81.38 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -75.25 150.04 38.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.004 -170.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -75.6 151.01 84.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.83 -169.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.9 163.43 33.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.395 175.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.525 ' HB3' ' HA3' ' A' ' 60' ' ' GLY . 92.5 p -65.41 -15.09 62.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.81 129.9 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.184 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -48.67 110.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -133.73 74.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.7 p -78.61 158.86 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -127.03 159.84 32.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.91 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -123.96 138.13 54.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -141.27 132.72 26.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -172.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -108.79 130.13 55.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 175.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.06 159.36 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -173.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -109.76 123.21 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.2 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -126.31 113.87 35.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.31 34.31 17.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.09 -0.06 88.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -96.05 134.34 39.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.855 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.8 m -83.31 122.46 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.181 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.0 m -128.46 141.24 51.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -177.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.4 tp -115.41 129.51 56.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.897 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 pp -137.22 149.87 47.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -102.23 133.85 46.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.4 mt -105.62 120.2 56.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.501 ' HB2' HG22 ' A' ' 7' ' ' VAL . 80.0 mt -103.89 125.67 50.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 176.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -92.39 163.36 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -177.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.8 m -111.47 130.56 55.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -170.3 141.14 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.525 ' HA3' ' HB3' ' A' ' 35' ' ' SER . . . 79.17 29.51 50.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 169.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -167.46 149.29 5.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.343 . . . . 0.0 110.843 175.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -75.38 -44.72 43.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.39 -60.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -171.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -169.09 142.75 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.985 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 t -99.87 -162.62 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 168.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.31 -34.95 77.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.7 mtp -65.01 -42.55 94.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.3 -22.3 30.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -174.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.35 -27.16 69.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -62.33 -51.38 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -174.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.703 ' HB3' HG21 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -68.06 -27.02 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -177.572 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.1 mtp -64.49 -37.42 87.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 172.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -69.68 -43.04 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.9 p -94.73 -54.06 3.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -171.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.453 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 81.73 23.27 58.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -176.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.57 -44.5 93.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.985 0.421 . . . . 0.0 110.887 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.02 145.13 4.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -155.73 152.35 28.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.419 . . . . 0.0 110.827 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.0 tp -102.1 128.54 48.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 -176.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.49 113.55 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.1 m -114.91 138.53 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -140.95 161.54 37.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.76 132.23 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.6 tp -74.86 -19.89 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.15 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -91.5 -17.92 24.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -175.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -91.86 113.55 25.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.9 m -68.42 -44.38 75.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.65 -34.72 78.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -173.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.9 m -61.51 -38.84 88.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.004 0.43 . . . . 0.0 110.847 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -60.28 -41.5 93.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -71.16 -38.68 72.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.19 -40.63 94.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.833 -171.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.7 pt -67.37 -32.42 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -65.91 -48.8 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 174.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.424 HE21 ' HB2' ' A' ' 95' ' ' GLN . 16.8 mt-30 -63.22 -43.05 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.49 -48.75 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -60.73 -45.02 95.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.904 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.95 -35.96 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -68.8 -52.62 28.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -175.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.1 pt -62.36 -31.67 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.68 -44.54 96.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.27 -36.83 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.01 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -94.98 2.16 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 47.95 45.07 19.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.7 m -113.49 161.27 17.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -170.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -85.3 -175.13 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -70.41 119.86 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.453 HG11 ' HA3' ' A' ' 75' ' ' GLY . 30.9 m -112.49 158.94 35.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.089 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -54.45 128.44 30.15 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 -177.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 66.1 ttp -152.1 152.07 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.9 t -124.89 131.19 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.131 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.4 tp -105.23 122.12 45.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -174.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.3 128.49 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 -173.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.24 133.59 11.37 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.5 170.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -95.38 175.07 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 -173.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 47.15 47.42 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 173.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 25.3 p -73.48 -7.83 53.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -96.69 -7.06 35.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 175.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.6 tp -74.84 128.43 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.52 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.92 88.17 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -128.32 169.12 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 10.9 t -84.4 -166.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 168.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.8 p -40.05 136.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.17 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -52.77 153.65 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -163.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.5 p -63.04 -18.2 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -60.27 -33.95 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.93 -39.8 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.85 78.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -61.6 -47.01 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.54 -35.88 80.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.93 -43.72 91.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 176.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.31 86.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 175.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.43 -37.37 86.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.3 p -66.67 -23.59 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.453 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.8 m-30 -93.19 -6.88 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 178.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.26 28.79 67.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.515 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.462 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 46.0 pt -127.41 160.06 62.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 111.093 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 77.6 Cg_endo -72.58 150.79 51.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.365 175.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -116.48 134.08 55.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 42.8 mm -109.84 128.28 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -106.28 122.7 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 171.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.573 HG21 ' HA3' ' A' ' 151' ' ' GLY . 14.6 t -143.52 176.12 9.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.05 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 24.7 t -122.21 117.37 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 172.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.05 -26.88 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -176.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -89.53 -52.43 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -174.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 77.3 p -106.21 -19.38 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 -162.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.47 ' HB2' ' H ' ' A' ' 145' ' ' SER . 88.1 mtt-85 -119.77 160.63 22.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 -171.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -89.95 111.06 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 170.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.573 ' HA3' HG21 ' A' ' 144' ' ' THR . . . -111.08 -74.58 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 -172.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.73 -32.37 42.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 111.174 -169.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.08 -46.78 87.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -69.2 -35.48 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.61 91.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.79 -42.45 97.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -61.39 -38.97 88.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 177.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.4 m -65.13 -43.81 90.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.129 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.77 -48.81 78.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.927 -174.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.36 -34.94 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.049 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.84 -42.0 95.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -68.83 -36.83 78.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -66.93 -44.4 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.031 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -66.86 -33.41 75.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -76.25 -59.85 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -178.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.1 m -100.55 127.79 46.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -111.86 133.85 53.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -122.42 143.72 49.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 173.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -106.92 109.4 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -106.74 119.08 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -175.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.0 t -118.16 118.8 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -96.56 126.59 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -175.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 m -129.35 164.56 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.202 -170.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 81' ' ' VAL . . . 145.72 -174.44 25.7 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.23 141.52 54.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.063 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.09 134.23 36.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.474 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.53 -1.36 64.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 175.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.4 t -86.88 -64.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.102 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.01 66.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -48.35 14.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 168.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -66.13 -31.88 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.796 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.15 -39.12 63.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 -170.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.97 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.906 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -60.98 -39.97 91.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.43 -42.43 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 1.5 tm0? -65.12 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.83 -49.87 34.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.1 mm -83.03 -41.82 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 -171.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -109.94 -27.77 9.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.998 -172.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER 70.11 40.62 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.31 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -129.82 157.22 42.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -110.93 100.16 8.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.8 m -135.17 165.9 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -95.05 10.01 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.56 79.07 9.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -82.15 159.62 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -170.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -64.58 149.62 95.15 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.727 . . . . 0.0 110.807 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.81 159.47 51.29 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 176.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -64.94 -15.09 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.23 129.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.97 108.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -142.83 98.09 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.7 p -80.93 154.98 26.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -128.6 161.23 30.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.97 143.26 50.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -147.82 130.01 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -94.47 127.0 40.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 174.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -136.82 164.88 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.5 t -99.51 119.7 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 174.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.4 mt -126.18 123.63 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t0 60.51 31.14 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -176.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.4 -0.37 89.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -109.96 128.96 55.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.944 0.402 . . . . 0.0 110.799 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.3 m -74.48 128.56 35.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.16 167.83 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.2 tp -112.68 134.61 54.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.878 ' O ' HD12 ' A' ' 53' ' ' LEU . 2.8 pp -124.6 145.33 49.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 177.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -98.0 135.66 39.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 177.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.0 mt -105.91 115.05 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 -172.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.6 mt -120.15 116.51 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 175.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -94.2 133.15 38.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.4 p -112.21 157.56 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.99 138.41 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.94 51.6 18.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 167.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -116.09 147.43 41.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.18 -53.13 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -119.95 -55.78 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -168.51 149.14 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.7 p -86.62 175.94 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.9 -32.72 73.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 168.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 67.6 mtt -68.13 -41.79 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.75 -35.47 78.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -61.38 -34.54 75.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -62.58 -50.82 69.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -175.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -72.53 -27.01 61.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -177.356 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 86.3 mtp -65.28 -39.28 92.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 170.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -72.26 -39.73 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.888 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.7 p -90.45 -55.11 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.097 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.73 24.76 37.45 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.428 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -67.99 -41.03 82.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.97 0.414 . . . . 0.0 110.79 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.1 157.12 8.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.549 174.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -153.58 149.82 28.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.3 tp -104.21 127.91 51.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.0 t -111.55 115.67 29.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.449 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 21.4 m -114.6 143.43 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -141.07 163.51 32.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.54 130.78 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.607 ' O ' HG22 ' A' ' 124' ' ' THR . 8.8 tp -69.89 -17.04 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -174.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -91.54 -15.67 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -86.19 116.85 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.1 m -67.67 -41.26 84.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.096 -178.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -75.19 -28.08 59.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.857 -167.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -63.15 -57.69 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -164.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -68.9 -27.89 66.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.935 -175.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.55 -43.77 75.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.89 -35.07 77.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.89 -39.94 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -54.71 -45.23 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.411 ' HB2' HE21 ' A' ' 95' ' ' GLN . 14.9 mt-30 -65.3 -43.17 91.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 177.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -60.31 -39.59 87.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -59.99 -47.26 86.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -69.71 -36.31 75.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.65 -53.64 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -172.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.2 pt -63.46 -31.84 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.045 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.72 -45.68 91.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 176.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -71.28 -37.47 71.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.7 t -63.13 -40.22 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -94.96 0.73 54.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 49.17 44.92 23.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.856 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.3 m -120.03 171.52 8.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -170.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -84.57 -175.85 5.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.83 139.68 55.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.64 156.49 61.42 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 111.113 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -55.14 121.05 9.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.285 -175.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.3 ttt -145.63 142.35 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.1 t -129.35 133.78 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 169.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -102.98 118.41 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.7 t -122.46 128.02 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -174.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.22 143.17 15.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 171.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -92.58 174.03 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.883 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.493 ' HB3' ' HB2' ' A' ' 120' ' ' LEU . 98.2 mttt 55.9 64.84 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 170.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.25 -15.07 60.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -101.37 4.68 41.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 117' ' ' LYS . 55.4 tp -75.54 132.71 40.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.89 -36.92 18.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.58 75.75 10.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -117.44 171.68 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 84' ' ' ILE . 14.5 t -80.06 -167.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.212 175.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 79.5 t -43.29 141.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.147 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -47.01 150.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 -166.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.8 p -62.26 -18.91 62.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.38 -31.6 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.47 -47.88 79.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.24 -34.89 78.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.02 -42.72 99.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -68.92 -36.01 77.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 133' ' ' LEU . 0.6 OUTLIER -65.46 -36.83 85.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 175.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.39 -36.13 78.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 170.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -65.08 -33.81 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 56.6 p -64.23 -24.85 67.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -175.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -106.43 -0.07 24.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.6 33.62 67.27 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.409 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 46.8 pt -112.45 148.88 40.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 0.0 111.126 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 51.9 Cg_exo -58.66 142.64 98.65 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -123.67 130.02 52.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 88.1 mt -123.53 126.7 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -101.95 110.34 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 171.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.2 t -151.43 -174.46 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 -172.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 149' ' ' ARG . 74.5 m -129.92 124.92 34.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 171.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.51 -30.88 71.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -87.01 -49.31 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -170.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.1 p -107.08 -15.7 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.126 -164.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.404 ' HB2' ' H ' ' A' ' 145' ' ' SER . 36.1 mmt180 -116.5 158.54 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -74.01 91.27 2.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 173.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -111.11 -74.99 0.77 Allowed Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.455 -171.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.8 m -60.09 -30.77 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 0.0 111.099 -168.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.76 -49.8 76.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.84 -35.66 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.85 95.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -65.05 -39.75 93.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -62.02 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.7 p -71.65 -30.83 66.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 53.7 tp -64.48 -42.63 95.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.8 t -61.59 -40.08 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.044 174.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.04 -38.36 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -69.37 -38.57 78.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.27 -45.01 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -68.03 -25.57 65.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -75.39 -48.06 24.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.965 175.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.7 mtm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.893 0.377 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -81.35 129.72 34.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -87.22 127.43 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.646 ' OH ' ' HA3' ' A' ' 77' ' ' GLY . 63.1 t80 -117.15 127.78 54.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -94.83 99.86 11.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.438 HD23 HG12 ' A' ' 55' ' ' ILE . 64.1 tp -102.92 117.64 35.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -176.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.09 131.47 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -78.83 125.03 38.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.39 139.91 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' A' ' 81' ' ' VAL . . . 128.36 166.03 11.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.445 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.21 146.19 28.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.81 0.338 . . . . 0.0 111.114 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.97 -163.52 34.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.27 -4.74 25.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.91 -62.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.949 0.405 . . . . 0.0 111.221 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.03 70.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.31 -34.22 77.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 t -61.71 -43.01 99.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 177.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.43 ' HB2' ' CD2' ' A' ' 32' ' ' TYR . . . -57.77 -42.99 85.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.111 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.402 HD22 ' HB ' ' A' ' 152' ' ' VAL . 93.0 mt -63.78 -41.9 97.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -176.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.9 p -73.88 -34.26 64.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.0 mt -66.6 -42.75 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 25.2 mt-30 -65.25 -32.47 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -62.45 -50.32 71.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.401 HG13 ' HG2' ' A' ' 25' ' ' GLN . 50.0 pt -80.03 -20.02 12.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -172.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.5 mm-40 -100.67 -27.64 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 65.01 31.99 10.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.424 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 98.4 m-70 -129.26 175.26 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -99.04 118.38 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.8 t -126.4 125.66 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 -167.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -104.05 -29.45 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.08 85.3 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.43 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 41.7 p90 -101.03 170.44 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -174.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -71.85 151.43 93.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.598 0.713 . . . . 0.0 110.922 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 36' ' ' ILE . 37.2 Cg_endo -61.59 156.45 47.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.393 176.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 t -63.3 77.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' PRO . 48.4 pt -134.09 162.06 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.29 103.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 175.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -155.04 102.0 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -176.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -90.35 153.44 20.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -126.03 143.22 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -123.88 142.92 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -140.28 131.29 26.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -78.6 124.43 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.7 t -136.62 146.94 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -98.78 124.13 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 171.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.416 HG12 HG13 ' A' ' 160' ' ' VAL . 77.5 mt -123.97 118.56 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.13 30.29 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.71 -4.38 84.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.505 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.58 123.47 44.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.929 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -74.18 127.54 33.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.231 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 p -145.85 167.7 22.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.913 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -114.86 119.69 37.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.9 mp -94.11 118.83 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -99.37 117.72 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.438 HG12 HD23 ' A' ' 6' ' ' LEU . 82.2 mt -89.02 118.69 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 -177.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 71' ' ' TYR . 40.0 mt -101.74 114.96 29.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -165.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -97.64 154.43 17.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.3 t -76.55 151.66 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -146.46 139.61 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.2 -102.69 1.49 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -75.46 158.33 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 111.002 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.06 -44.93 75.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -100.5 -29.96 12.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -173.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.34 129.52 47.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -175.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.557 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 27.5 t -160.76 138.77 9.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.84 -31.42 72.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 170.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 62.5 tpp -79.96 -44.56 20.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.789 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.557 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 77.6 ttt-85 -91.18 -62.37 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -172.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.76 -49.1 67.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -169.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -54.04 -42.44 69.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.943 -176.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.452 ' HB2' HD13 ' A' ' 56' ' ' LEU . 68.1 m-85 -78.84 -34.84 44.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.866 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 58.5 ttp -56.51 -30.74 63.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -59.83 -28.05 67.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -177.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.6 m -69.88 -42.25 73.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.53 31.69 26.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 170.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.4 -59.5 5.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.646 ' HA3' ' OH ' ' A' ' 4' ' ' TYR . . . -171.67 170.32 43.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 174.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -149.89 148.14 28.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 110.877 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.96 126.7 54.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.7 m -91.06 111.65 23.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -172.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.487 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 92.7 t -117.66 132.31 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -102.87 134.77 45.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -175.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.76 145.51 47.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.7 mt -73.64 -32.0 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -167.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -109.97 -29.9 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -174.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -80.3 99.85 8.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -171.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.9 m -61.27 -36.83 81.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.89 -18.72 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -54.02 -35.97 62.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -56.02 -44.44 78.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -68.07 -44.73 75.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.6 -35.94 82.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.77 -44.22 99.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 137' ' ' TYR . 81.6 t60 -60.0 -47.1 87.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 176.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' A' ' 95' ' ' GLN . 17.7 mt-30 -62.84 -44.15 96.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.999 -177.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -62.44 -37.79 87.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -62.4 -42.55 99.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 175.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -65.15 -38.13 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -66.52 -45.28 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.407 ' HA ' HG22 ' A' ' 103' ' ' VAL . 93.6 mt -62.45 -39.89 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.071 175.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -56.02 -39.0 71.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -68.78 -52.57 28.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.407 HG22 ' HA ' ' A' ' 100' ' ' ILE . 26.7 m -74.95 -24.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -167.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -72.44 -17.31 61.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -171.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 43.1 44.7 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 172.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.5 p -157.27 -178.85 7.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -71.93 166.05 22.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -84.78 134.7 34.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -174.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.8 t -110.66 130.07 23.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.62 134.58 41.63 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.409 -178.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 26.2 mmt -129.93 154.44 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -176.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.8 t -127.63 132.31 69.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.102 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.2 tp -97.79 122.18 40.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.983 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.34 129.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -119.07 167.67 13.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.442 174.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 144' ' ' THR . 71.7 m-80 -106.5 156.74 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.889 0.376 . . . . 0.0 110.913 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -117.84 -58.2 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.8 m -91.28 4.2 52.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.897 -169.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -86.04 -10.2 55.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -176.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.3 tp -152.97 130.4 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.86 79.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.42 96.94 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 176.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 92.4 mtm180 -100.37 149.94 23.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -175.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.8 t -81.78 -168.67 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 33.6 m -58.52 160.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 -178.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 7.8 tp10 -47.82 147.84 1.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.7 p -64.86 -26.57 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -172.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.402 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.8 mtt180 -63.12 -44.37 95.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 177.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -75.32 -41.11 57.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.78 80.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -61.23 -49.06 78.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.95 -36.15 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.95 -44.97 94.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.4 93.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.87 -34.42 78.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 77.8 p -67.02 -22.43 65.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.603 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 45.8 m-85 -101.14 5.08 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.17 12.28 57.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 165.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.5 mt -129.87 129.98 23.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.71 0.766 . . . . 0.0 111.078 -176.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.78 148.29 76.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -121.7 129.97 53.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -171.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 92.9 mt -123.5 134.93 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -104.44 128.78 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 14.6 t -143.75 -170.35 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.102 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.3 t -134.91 107.6 7.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 169.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.59 -24.88 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -169.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.16 -38.78 20.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -171.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.9 p -109.52 -19.0 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -170.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -136.75 179.09 6.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -177.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -65.16 115.74 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 174.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -129.54 -104.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -173.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.402 ' HB ' HD22 ' A' ' 19' ' ' LEU . 11.6 p -56.21 -29.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.805 0.336 . . . . 0.0 111.15 -176.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.6 -43.35 80.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -67.62 -40.3 84.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.8 96.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -67.32 -45.29 76.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -68.44 -36.92 79.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 59.9 m -62.37 -42.75 99.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 174.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.37 -46.29 83.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 46' ' ' ILE . 55.5 t -59.56 -41.45 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 177.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.27 -38.69 92.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -69.4 -35.73 76.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -65.73 -48.33 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.171 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -69.65 -22.83 63.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -75.82 -59.93 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 178.282 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 ttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 99.5 m -88.59 121.02 30.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -100.1 132.25 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.702 ' OH ' ' HA3' ' A' ' 77' ' ' GLY . 82.2 t80 -127.98 129.91 47.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -95.0 113.6 25.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -108.33 118.01 35.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.96 134.52 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.049 -176.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.79 121.21 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.5 t -135.04 145.89 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.09 -157.27 22.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.531 173.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.86 144.97 43.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 -176.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.04 -178.38 29.09 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.73 -44.42 1.84 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.413 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.13 -58.19 8.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.88 0.371 . . . . 0.0 111.155 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA3' ' HB3' ' A' ' 18' ' ' ALA . . . 164.99 72.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.478 174.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -57.12 -47.88 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.931 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -75.83 -36.66 59.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.469 ' HB3' ' HA3' ' A' ' 15' ' ' GLY . . . -62.92 -41.82 99.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -174.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.23 -36.57 79.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.4 m -61.09 -43.13 99.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 171.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.72 -40.0 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 176.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -62.95 -36.89 84.95 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -64.98 -50.02 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.66 HG13 ' HG2' ' A' ' 25' ' ' GLN . 38.9 pt -87.97 -21.18 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.155 -166.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.66 ' HG2' HG13 ' A' ' 24' ' ' ILE . 98.2 mm-40 -114.06 -17.58 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 94.0 m-20 70.15 20.12 6.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 -175.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -137.39 141.9 41.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -98.94 121.07 40.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.53 124.95 69.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.08 -174.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.97 -38.21 76.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -90.02 79.93 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -94.79 168.14 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -172.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -70.66 146.39 93.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -170.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.93 157.07 63.41 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -64.28 76.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 pt -124.94 159.46 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.163 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.1 99.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -159.63 100.25 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -176.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.1 p -81.76 152.42 27.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -125.1 145.0 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -122.56 140.32 52.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -175.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -146.68 124.25 11.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 173.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -78.21 124.13 27.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.504 HG23 ' SG ' ' A' ' 51' ' ' CYS . 27.2 m -136.81 163.31 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.1 t -116.19 129.55 72.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.8 mt -123.53 119.51 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t0 55.72 35.12 24.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -177.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.2 -0.04 88.18 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -102.16 130.41 48.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.941 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.0 m -71.93 127.13 31.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.504 ' SG ' HG23 ' A' ' 44' ' ' VAL . 26.8 p -147.04 165.1 30.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.8 tp -113.06 126.95 56.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.1 tp -91.99 111.09 22.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -105.0 108.95 20.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.8 mt -96.29 124.9 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.5 mt -116.17 111.92 20.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -170.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -94.01 161.72 14.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -72.82 150.02 43.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.12 128.88 48.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.02 -106.31 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -85.04 159.13 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.656 0.265 . . . . 0.0 110.991 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.11 -49.07 71.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -172.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -98.1 -38.9 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -174.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -96.68 110.3 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.926 -174.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.779 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 40.1 t -156.29 139.96 16.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -175.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.33 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 169.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ttt -77.09 -51.17 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.779 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 78.0 ttt-85 -63.58 -50.01 71.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -173.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -72.05 -35.01 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -170.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -64.96 -48.3 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -74.67 -32.08 62.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.957 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.9 mtp -64.57 -34.77 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 170.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -65.07 -32.73 74.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.9 m -67.98 -47.17 69.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.79 24.72 61.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 165.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -54.43 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.702 ' HA3' ' OH ' ' A' ' 4' ' ' TYR . . . -174.07 161.7 32.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 174.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -149.95 146.82 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.891 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.1 tp -107.06 127.65 53.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 113' ' ' LEU . 73.5 m -92.2 130.91 37.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -171.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.84 130.45 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 113' ' ' LEU . 53.9 t80 -111.5 136.87 50.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.04 149.37 39.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.053 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' A' ' 120' ' ' LEU . 95.7 mt -69.3 -36.9 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -168.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.05 -29.96 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -80.75 100.03 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -171.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.4 m -61.24 -36.79 80.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.49 -20.59 64.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -174.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 m -55.98 -32.24 63.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -55.09 -44.26 74.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.75 -43.02 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.32 -38.53 91.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.5 mt -66.07 -40.51 87.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 177.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -58.38 -44.19 88.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.795 174.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -62.18 -41.47 98.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -58.28 -42.64 87.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 176.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -63.61 -43.81 95.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.85 -37.52 87.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -67.53 -47.13 70.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.424 ' HA ' HG22 ' A' ' 103' ' ' VAL . 93.5 mt -59.97 -40.88 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 175.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 88.6 tttt -56.65 -39.23 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -176.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -70.75 -51.17 28.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 100' ' ' ILE . 32.5 m -74.93 -24.26 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -167.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.402 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 58.2 pttt -73.0 -17.33 61.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -172.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 42.57 44.54 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 173.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.1 p -155.43 -177.33 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 47.8 p30 -79.96 -176.43 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.897 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -65.64 139.95 58.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -174.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.41 156.51 48.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -65.9 126.42 15.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.617 2.212 . . . . 0.0 112.372 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 66.5 mtm -135.03 135.02 41.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.64 137.13 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 172.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.488 ' HB2' HD12 ' A' ' 139' ' ' ILE . 59.3 tp -103.77 127.1 51.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.5 p -118.49 134.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.36 157.0 27.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.53 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 144' ' ' THR . 70.8 m-80 -106.1 157.78 17.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 -176.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -130.06 -51.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.4 m -86.83 6.26 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -170.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -86.46 -15.17 41.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.426 ' HB3' HG21 ' A' ' 84' ' ' ILE . 58.3 tp -153.53 130.52 11.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -177.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.42 77.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.91 104.34 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 172.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -118.13 159.79 22.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -170.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.3 t -80.16 -169.76 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.11 163.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -43.85 148.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -175.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.9 m -60.08 -38.72 83.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 -172.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.45 -42.81 98.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -70.85 -42.13 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.9 94.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.401 ' HB3' HE21 ' A' ' 131' ' ' GLN . 5.5 tt0 -63.69 -45.4 90.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.986 176.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.82 -36.03 78.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.18 -45.02 95.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.97 -44.29 89.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -66.23 -37.71 86.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -175.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.0 p -68.11 -23.48 64.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -93.89 -2.14 53.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.24 13.07 27.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 163.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 113' ' ' LEU . 22.9 pt -136.73 142.91 40.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 111.084 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.85 144.2 21.53 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.402 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -111.89 129.1 56.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.913 -173.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 87.2 mt -119.96 129.91 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.83 127.23 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 68.6 p -132.43 172.44 12.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.139 -174.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -130.94 99.88 5.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 165.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.42 -29.54 68.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -169.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -80.13 -31.81 39.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -169.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 60.7 p -105.87 -25.42 12.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -140.05 177.32 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -80.69 115.7 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 171.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.96 -75.05 0.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -172.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.67 -29.52 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.55 -47.37 82.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -67.72 -39.02 84.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.928 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.98 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.196 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -64.74 -40.48 95.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -60.2 -37.65 80.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 89.8 m -63.58 -41.47 98.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 170.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.17 -38.6 89.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 176.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.3 t -59.33 -45.0 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.88 -38.46 90.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -69.26 -37.5 77.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.51 -44.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.042 175.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -65.75 -32.76 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -62.13 -52.43 63.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 178.669 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.3 m -106.71 122.6 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.45 140.2 52.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -119.38 132.61 55.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 176.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -100.89 101.18 11.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' C ' HD23 ' A' ' 6' ' ' LEU . 7.3 tt -116.1 120.28 38.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -169.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -102.37 124.96 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.06 135.64 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.64 151.61 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 173.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.65 171.75 27.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -170.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.13 160.74 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -172.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.88 152.14 26.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.553 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.87 -16.77 80.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -101.22 16.73 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 111.159 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.86 -135.8 8.17 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.534 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -56.69 -28.56 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.6 t -63.29 -53.45 52.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.98 78.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.164 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.99 -41.28 99.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -69.11 -45.1 71.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.59 -43.79 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 -172.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -67.9 -28.7 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -73.67 -45.0 55.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.464 HG13 ' HG2' ' A' ' 25' ' ' GLN . 42.4 pt -78.47 -19.78 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -175.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 99.3 mm-40 -105.57 -22.52 12.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.99 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.8 m-20 68.16 14.91 9.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -175.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -139.93 150.77 44.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -83.06 120.33 25.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.3 t -112.45 124.64 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -174.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -83.07 -34.58 26.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -89.76 80.65 6.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -79.74 179.11 7.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -173.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.475 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 2.8 p30 -63.78 158.59 59.87 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.636 0.731 . . . . 0.0 110.865 -172.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 36.4 Cg_endo -64.41 164.43 23.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 0.0 112.307 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.9 p -70.08 -5.21 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -176.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.7 mt -75.37 129.4 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 172.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -40.39 133.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -154.66 104.95 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.822 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.8 m -99.71 161.38 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -130.42 152.61 49.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -168.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.87 143.18 49.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 168.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -148.39 130.19 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -79.05 126.79 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.966 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.02 156.92 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -172.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.5 t -107.33 118.15 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -130.59 124.16 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 60.72 27.02 16.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -173.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.68 -0.03 89.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -104.25 128.71 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.858 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.3 m -86.95 127.49 35.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -149.98 170.37 19.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.2 tp -99.18 120.22 39.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.5 tp -105.44 118.95 37.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -97.41 113.05 24.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mm -100.22 114.96 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 -175.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.08 113.65 25.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -176.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -116.96 139.49 50.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.6 m -106.65 135.7 47.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.83 130.56 13.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 174.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.49 -25.44 24.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -107.31 146.05 32.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.972 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.5 -52.73 10.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -129.95 -30.32 2.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -68.9 128.17 35.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -169.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.5 t -155.85 123.28 5.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 165.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.49 85.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.8 mtp -80.4 -48.31 13.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -65.34 -41.45 93.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -170.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -63.08 -37.46 87.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -64.31 -43.3 95.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -65.62 -33.6 76.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.9 mmm -64.78 -36.52 84.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.75 -29.98 70.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.8 p -85.96 -30.94 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.467 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 70.89 28.91 69.85 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.431 171.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -60.5 -60.15 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 110.873 -173.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 151.88 23.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -146.16 126.5 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -170.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.424 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 87.1 mt -111.21 131.88 54.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 170.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.5 t -109.76 114.5 28.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.2 t -103.33 131.6 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -136.92 164.09 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -99.52 134.81 41.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 177.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.93 -30.16 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -87.85 -14.4 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.451 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 41.9 t-20 -90.72 114.8 27.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.9 m -65.9 -44.48 85.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.0 -28.05 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.3 t -59.8 -36.25 76.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -65.34 -38.4 90.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 176.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.58 -35.38 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.24 -44.93 90.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.5 pt -71.02 -26.41 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 -177.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.52 -46.81 86.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.811 171.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.419 ' HB2' HE21 ' A' ' 95' ' ' GLN . 15.9 mt-30 -66.1 -43.01 88.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -59.47 -40.99 88.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.1 tpt85 -53.77 -44.27 69.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.09 -36.88 64.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.535 ' O ' HG23 ' A' ' 103' ' ' VAL . 27.9 tt0 -67.97 -52.69 33.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -173.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.8 pt -64.64 -27.42 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.21 -174.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.22 -43.77 92.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.06 -35.66 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.876 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 99' ' ' GLN . 64.5 t -63.11 -38.92 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -173.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -74.56 -13.4 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.811 -173.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 45.39 43.96 8.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.0 t -156.16 -170.98 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -176.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -77.24 -179.12 5.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -66.92 116.27 7.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -177.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.467 HG11 ' HA3' ' A' ' 75' ' ' GLY . 33.7 m -107.59 159.86 28.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.608 0.718 . . . . 0.0 111.151 -178.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -54.98 124.01 15.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.277 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 65.9 mtt -133.38 150.69 51.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 79' ' ' LEU . 84.3 t -132.79 136.16 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.197 173.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.5 tp -101.02 121.94 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.95 127.87 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 -169.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.65 138.97 14.16 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.507 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -98.44 169.96 9.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.379 . . . . 0.0 110.884 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 54.78 41.39 31.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 173.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.0 m -75.19 -7.0 52.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -94.66 2.12 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 173.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.9 tp -74.34 125.76 29.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.67 84.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -85.65 56.52 4.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 -101.49 90.65 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 174.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 42.4 p -82.5 57.78 3.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 90.5 t -139.46 128.23 28.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.252 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.67 125.44 26.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.0 p -62.91 -29.51 70.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.73 -38.07 89.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.838 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -69.61 -43.46 72.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.045 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -68.29 -48.18 65.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.93 -33.9 76.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.48 -44.07 92.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -62.15 -39.84 93.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 172.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.65 -32.23 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.886 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.0 p -67.54 -20.64 65.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -99.36 -0.92 40.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.2 24.8 70.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.558 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.424 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 92.9 mt -124.73 131.35 24.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.697 . . . . 0.0 111.193 -172.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -65.83 151.01 85.44 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -112.23 127.44 55.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -172.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 39.7 mm -122.39 138.08 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -101.17 127.56 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.492 ' CB ' ' HA3' ' A' ' 151' ' ' GLY . 6.8 t -137.13 174.5 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.487 ' HB3' ' H ' ' A' ' 149' ' ' ARG . 14.0 t -145.15 129.8 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 170.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.54 -19.39 64.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.077 170.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -92.84 -61.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -168.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 72.7 p -133.41 -44.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.22 -166.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.487 ' H ' ' HB3' ' A' ' 145' ' ' SER . 72.2 ttt180 -90.16 133.06 35.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -169.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -84.99 126.87 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.492 ' HA3' ' CB ' ' A' ' 144' ' ' THR . . . -137.64 -51.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 59.9 t -52.3 -36.53 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.32 . . . . 0.0 111.095 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.35 -42.84 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -68.1 -35.51 78.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -59.01 -45.64 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 173.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -65.16 -45.42 85.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.5 m -68.42 -47.26 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 68.5 tp -63.13 -49.48 74.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.02 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 52.8 t -64.47 -39.26 84.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -57.49 -43.74 84.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 173.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.04 -33.44 73.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.9 -44.54 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 55.4 tpt85 -74.28 -30.02 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -79.96 -60.02 2.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.979 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.74 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.5 m -98.9 117.46 33.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -128.38 138.3 52.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -119.96 123.48 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 175.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -95.73 100.29 12.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -111.82 128.49 56.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.956 -167.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.6 t -95.23 121.01 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -172.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -109.02 134.44 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.102 -175.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.4 t -128.0 141.97 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.16 166.71 36.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.65 149.75 49.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.193 -172.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.03 -179.74 41.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.04 1.42 84.86 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.87 3.93 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.932 0.396 . . . . 0.0 111.067 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.22 -139.56 10.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.3 -18.26 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.967 -178.506 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.8 m -58.14 -49.37 77.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.41 -41.21 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 63.2 mt -64.88 -42.78 94.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -171.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -67.29 -44.71 78.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.1 mt -69.0 -41.17 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.045 -174.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 19' ' ' LEU . 4.6 pp0? -67.93 -27.23 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -171.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.9 tp -72.55 -47.93 44.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.977 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.509 HG13 ' HG2' ' A' ' 25' ' ' GLN . 45.2 pt -78.36 -19.52 13.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.072 -173.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.509 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.4 mm-40 -106.78 -24.28 12.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 93.9 m-20 68.98 17.66 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -174.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -138.26 150.13 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -83.87 117.17 23.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -177.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.4 t -123.38 126.82 73.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 -173.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -92.67 -18.82 22.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -88.6 87.84 7.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.79 146.31 54.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.545 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 39.2 p30 -64.27 171.38 2.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.482 0.658 . . . . 0.0 110.889 -175.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 83.1 Cg_exo -52.32 155.6 9.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.616 2.211 . . . . 0.0 112.325 -176.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.7 p -74.32 -4.17 34.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -170.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.08 128.01 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 172.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -49.92 109.96 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -139.84 101.65 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.1 m -99.61 161.74 13.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -132.61 158.22 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 -171.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 54' ' ' ASP . 98.8 mtt180 -117.85 147.31 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -145.34 130.04 18.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -92.83 126.62 38.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -141.12 164.89 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.18 119.31 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.5 mt -129.8 129.47 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t0 65.06 24.81 12.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.96 -3.49 85.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.432 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.36 128.27 55.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.43 . . . . 0.0 110.913 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -72.21 127.32 32.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.2 p -144.71 162.72 36.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -106.23 122.02 45.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.6 mt -99.2 120.99 40.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.426 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 58.5 t0 -93.04 110.94 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 174.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.3 108.78 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -169.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.8 mt -97.77 106.56 18.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -172.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -99.84 154.3 18.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 m -99.07 132.75 44.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 172.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.47 143.44 31.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.091 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.66 -43.06 1.75 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -140.04 145.76 38.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.731 0.301 . . . . 0.0 110.902 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.86 -41.36 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -91.57 -33.44 15.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.829 -171.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -108.87 137.25 47.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.4 t -138.29 131.83 30.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 172.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.76 -42.05 86.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 63.7 mtt -84.88 -51.94 6.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -177.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -66.33 -44.68 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -167.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.87 -38.16 90.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 -175.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -70.84 -52.54 19.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -73.47 -29.86 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -171.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.5 tpt -53.17 -31.43 42.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 104' ' ' LYS . 98.5 mtt180 -69.29 -23.92 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.9 m -71.53 -44.02 65.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 171.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.69 31.42 36.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.505 164.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.61 -44.44 82.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.74 158.21 28.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.43 175.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 111' ' ' MET . 74.1 t80 -137.95 129.46 27.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.941 0.401 . . . . 0.0 110.877 -174.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.1 tp -110.23 120.3 42.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.7 116.53 32.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -107.85 130.81 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.061 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -132.44 170.81 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -101.04 128.85 46.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.402 HG22 ' HA ' ' A' ' 123' ' ' ARG . 91.1 mt -75.77 -27.02 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 -175.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.495 ' HB3' HD23 ' A' ' 120' ' ' LEU . 17.0 p-10 -88.06 -21.27 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.572 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 7.3 t-20 -97.22 96.99 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 173.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.6 m -54.02 -37.77 64.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.46 -19.36 65.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -174.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.6 p -60.61 -24.81 65.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -173.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -64.02 -38.98 93.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 174.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.13 -36.7 83.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.62 -47.86 79.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.3 pt -71.19 -26.88 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -64.37 -53.23 51.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.857 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -67.78 -33.83 75.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -60.58 -50.08 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.46 -43.67 89.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.829 -176.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.21 -36.7 84.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -175.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 103' ' ' VAL . 17.6 tt0 -69.17 -46.16 68.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.97 172.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.81 -36.97 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 97.0 mttt -59.42 -39.3 83.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.31 -35.45 66.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.816 175.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 99' ' ' GLN . 67.7 t -67.45 -40.33 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -177.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 106' ' ' SER . 58.7 pttt -75.72 -24.81 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -170.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 45.27 42.65 7.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.448 ' H ' ' HG3' ' A' ' 104' ' ' LYS . 71.6 m -134.79 175.78 9.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -174.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -74.87 -179.88 4.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -66.06 117.21 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -172.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 85.7 t -88.24 132.53 39.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 111.104 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -62.26 126.76 19.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 25.2 ptp -137.92 159.05 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -170.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.4 p -131.04 137.53 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.144 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.0 tp -98.48 117.44 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 81.8 t -128.37 131.55 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.48 146.28 16.05 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -100.05 169.0 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 174.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 64.99 39.79 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.1 t -67.04 -31.85 72.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 170.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -82.5 0.53 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -175.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 85' ' ' ASN . 60.7 tp -92.74 130.2 38.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 175.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.45 -30.76 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.05 77.05 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.402 ' HA ' HG22 ' A' ' 84' ' ' ILE . 99.8 mtt180 -90.15 79.98 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 173.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 52.6 p -85.05 64.88 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.2 t -136.27 131.09 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -76.91 110.92 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 92.9 p -62.87 -30.05 71.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -173.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.56 -39.5 94.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.819 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -73.92 -49.8 23.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' A' ' 141' ' ' TYR . . . -60.47 -43.52 96.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -67.62 -49.33 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.14 -33.56 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -176.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.62 -43.27 99.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -69.05 -34.62 75.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -66.05 -33.49 75.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.9 p -64.92 -24.69 67.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.753 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.95 4.21 31.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.63 39.42 67.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 175.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.522 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 6.0 tp -138.45 133.68 17.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.554 0.692 . . . . 0.0 111.199 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.52 145.63 46.25 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.434 ' CE1' ' HB1' ' A' ' 130' ' ' ALA . 48.5 t80 -91.93 126.42 37.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.95 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 84.9 mt -122.68 131.04 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -169.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -112.78 132.71 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 170.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 55.7 p -132.24 170.07 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -171.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -134.68 111.77 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 171.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.417 ' HB2' HD23 ' A' ' 19' ' ' LEU . . . -58.76 -25.16 62.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.8 -51.94 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -172.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.8 p -111.7 -24.5 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 -165.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -111.23 170.27 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -172.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.75 115.98 26.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.941 167.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.95 -74.97 0.98 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.553 -171.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 68.8 t -56.65 -44.47 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 111.11 -172.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.44 -48.23 82.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -69.14 -37.19 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.2 -45.82 83.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -69.98 -30.1 67.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -56.7 -47.9 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 173.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 87.9 m -66.54 -45.54 79.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 177.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.12 -52.3 63.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.006 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.1 -43.03 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -175.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.23 -40.44 94.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.4 -38.37 90.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.98 -39.96 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.197 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -67.98 -34.96 77.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.824 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -87.43 -49.99 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.777 -176.858 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.4 m -132.58 138.63 47.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -178.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -92.87 128.27 38.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -118.8 128.82 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.41 107.35 19.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 tp -103.66 125.27 50.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 71' ' ' TYR . 98.7 t -112.17 121.25 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.149 171.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.0 126.03 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.12 163.28 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.95 -176.96 30.87 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 -176.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.7 123.34 12.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 111.102 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.3 141.7 30.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.591 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.64 15.52 56.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -95.31 -73.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.71 55.0 0.16 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -64.27 -30.02 71.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.5 m -65.2 -41.92 94.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.05 -36.64 85.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.06 -37.4 87.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 176.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.0 m -65.25 -44.81 86.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.79 -39.05 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.519 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 7.5 tt0 -57.97 -33.77 69.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.65 -54.47 6.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 177.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.65 HG23 ' HG2' ' A' ' 25' ' ' GLN . 9.7 tp -81.67 -33.37 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -165.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.65 ' HG2' HG23 ' A' ' 24' ' ' ILE . 99.0 mm-40 -107.32 -31.28 8.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 16.6 m120 77.62 26.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -126.53 164.71 20.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -114.95 104.84 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 177.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 p -148.32 144.23 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 -176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -79.33 75.0 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -124.98 75.03 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -72.72 142.32 48.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -170.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -93.77 154.15 40.98 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.546 0.688 . . . . 0.0 110.955 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.5 157.68 53.75 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.394 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.9 p -70.78 -7.34 44.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.776 -176.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -56.13 130.29 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -53.2 110.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -147.53 96.26 2.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.9 p -86.29 159.99 19.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -126.83 152.1 47.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -127.95 136.3 51.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -134.53 131.33 37.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -175.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -79.07 123.4 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.01 164.62 33.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.22 -173.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.09 124.99 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -124.12 120.73 60.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 56.97 29.96 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.01 0.22 89.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -106.31 130.06 54.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.023 0.439 . . . . 0.0 110.886 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -81.29 125.0 29.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.206 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.4 p -140.37 176.63 8.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 tp -104.81 126.63 52.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -176.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.7 tp -101.06 112.84 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 174.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -91.71 119.24 31.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.7 mt -101.61 114.94 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -168.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HB3' ' HG2' ' A' ' 68' ' ' ARG . 73.8 mt -118.89 121.78 40.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 175.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -110.01 110.73 21.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m -97.72 132.59 43.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.12 130.91 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.39 -42.44 2.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 175.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -110.0 144.94 37.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.898 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -84.9 -46.49 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -131.73 -4.84 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -168.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -97.22 73.38 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -167.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 t -159.53 116.93 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.814 167.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.12 70.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.9 tpp -79.9 -46.41 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HG2' ' HB3' ' A' ' 56' ' ' LEU . 72.5 mtt85 -99.0 -56.34 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.906 -168.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.03 -14.61 60.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -168.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -49.27 -25.04 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.916 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.469 ' HB3' HG21 ' A' ' 7' ' ' VAL . 14.6 p90 -48.18 -32.59 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -175.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.9 mtm -59.9 -33.62 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -66.93 -34.79 78.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.1 p -90.23 -30.37 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 -173.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.47 18.94 78.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.82 -49.98 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.7 161.72 10.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -155.03 151.7 28.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.3 tp -111.02 124.46 52.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.1 t -97.99 124.89 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -109.99 135.03 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 -174.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -109.74 135.49 50.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.566 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -87.96 122.41 31.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 176.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' A' ' 116' ' ' ASN . 6.5 tp -67.34 -26.49 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 -169.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -103.22 -16.68 15.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -173.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.566 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 41.7 t-20 -88.13 115.32 25.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.9 m -67.54 -42.4 82.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.85 -21.0 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -175.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.4 t -51.84 -35.63 45.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -58.66 -45.4 89.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.77 -42.97 69.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -172.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -64.68 -39.09 93.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.767 -177.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.8 mt -66.64 -42.23 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -57.48 -47.25 82.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.425 ' HB2' HE21 ' A' ' 95' ' ' GLN . 17.7 mt-30 -65.16 -47.57 76.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -177.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -65.3 -41.16 94.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -64.79 -40.1 94.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.44 -43.45 98.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -68.85 -47.57 65.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.51 -41.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 175.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.04 -44.3 96.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -178.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.86 -40.02 87.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.0 t -69.95 -40.27 78.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.1 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -97.52 11.15 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -45.72 -37.53 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.6 m -118.75 74.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 172.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -167.51 157.32 10.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -107.4 82.67 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.8 t -118.18 124.09 28.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.132 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.41 ' HG3' ' HA ' ' A' ' 163' ' ' ILE . 66.3 Cg_endo -73.84 136.4 22.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.656 2.238 . . . . 0.0 112.391 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.8 ttt -144.78 140.0 28.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.8 t -132.25 137.45 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.198 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 134' ' ' ALA . 62.6 tp -103.99 121.66 43.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 175.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.04 134.19 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.91 143.46 16.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.54 177.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.459 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 52.3 p30 -93.63 164.29 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -177.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.474 ' H ' ' H ' ' A' ' 146' ' ' ALA . 56.7 mtpt 38.42 49.94 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.484 ' SG ' ' HG3' ' A' ' 143' ' ' GLU . 85.5 m -74.98 -6.9 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -177.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -97.57 5.03 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 176.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 tp -74.62 120.27 19.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.811 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.5 87.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.06 94.32 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -146.68 166.42 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 12.3 t -84.99 -165.59 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 70.8 t -40.88 141.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -175.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 128' ' ' ARG . 7.5 tp10 -50.91 153.4 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -163.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.2 p -64.0 -20.86 66.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.434 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 99.7 mtt180 -60.6 -29.98 69.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.44 -42.38 98.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.21 86.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -65.03 -47.11 78.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.14 -37.32 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.73 -41.3 92.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.453 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -58.54 -38.22 77.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 175.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.39 -39.85 94.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.6 p -73.29 -22.03 60.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -89.81 -3.7 58.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.76 24.81 71.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 48.7 pt -134.7 156.7 78.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 111.109 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.54 153.04 60.39 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.622 2.214 . . . . 0.0 112.296 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -117.44 130.93 56.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 144' ' ' THR . 40.9 mm -114.23 132.83 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 176.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.484 ' HG3' ' SG ' ' A' ' 118' ' ' CYS . 80.1 tt0 -118.56 109.98 16.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -175.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.431 HG23 HG22 ' A' ' 142' ' ' ILE . 71.7 p -137.92 179.48 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -175.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.5 t -127.03 108.85 11.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.474 ' H ' ' H ' ' A' ' 117' ' ' LYS . . . -65.14 -28.73 69.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 -176.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -75.78 -41.35 53.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -173.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 78.8 p -106.96 -21.14 13.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 -168.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -139.39 176.14 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -175.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -87.58 115.09 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 171.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.95 -63.55 0.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.91 -38.57 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -55.44 -46.04 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.8 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.28 -37.93 81.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.832 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.18 86.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -63.15 -41.58 99.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -60.05 -39.62 86.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.1 m -65.09 -43.01 93.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.209 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.56 -41.46 90.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 163' ' ' ILE . 49.4 t -63.75 -39.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.71 -35.86 77.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 173.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -71.45 -34.8 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 174.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 160' ' ' VAL . 85.9 mt -64.18 -40.12 87.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.114 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.5 -25.08 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -78.8 -59.9 2.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.048 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.7 m -119.33 135.41 54.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -97.56 130.97 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -113.42 133.14 55.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -100.09 102.15 13.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 tt -112.88 120.49 41.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -172.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.1 t -102.1 132.75 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 -175.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -93.19 125.32 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.7 m -133.04 164.71 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 -177.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.54 179.61 19.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.94 144.94 34.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.95 177.39 52.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.544 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.07 -26.44 6.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.4 t -95.0 -78.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.05 70.47 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 172.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -60.65 -45.81 92.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -66.8 -39.64 87.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 32' ' ' TYR . . . -61.1 -37.37 82.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.75 -43.99 91.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.7 p -72.38 -34.39 67.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -70.94 -43.58 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.059 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -77.18 -34.47 56.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -175.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.43 -42.2 92.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -174.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 tp -66.73 -20.0 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 58.6 mt-30 -100.58 -9.18 22.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 96.1 m-20 65.04 35.81 7.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -176.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -134.93 -171.34 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.809 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -112.02 130.0 56.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.26 114.25 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 174.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -75.03 -65.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -85.1 105.59 15.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.525 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 53.2 p90 -66.76 158.37 30.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -178.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -73.34 149.37 89.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.56 0.695 . . . . 0.0 110.869 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.46 ' O ' ' HB3' ' A' ' 35' ' ' SER . 37.7 Cg_endo -65.03 160.76 40.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.593 2.195 . . . . 0.0 112.35 176.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 34' ' ' PRO . 8.3 t 75.01 168.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -173.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.438 ' HB ' ' HB3' ' A' ' 59' ' ' ALA . 44.2 pt -109.18 173.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -167.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.478 ' OE1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER 53.52 72.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 178.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -110.07 45.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -107.53 164.88 11.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.05 167.78 20.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -170.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -115.01 135.98 53.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 169.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -140.13 138.26 35.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -175.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -78.61 124.95 28.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.53 160.02 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -173.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.06 118.38 48.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 174.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.8 mt -128.41 124.99 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 59.61 27.61 16.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -173.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.11 0.49 89.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -110.0 134.93 51.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -83.01 125.04 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -148.27 175.08 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.76 128.68 52.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.8 tp -110.73 109.82 20.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -106.09 112.65 25.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.5 mm -97.18 130.04 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -173.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 56' ' ' LEU . 3.4 mm? -104.77 112.17 25.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 177.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -97.18 123.45 40.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 172.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 t -105.54 150.07 25.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 175.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 36' ' ' ILE . . . -165.51 146.91 7.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 -178.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.44 -38.17 3.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.429 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -115.01 171.12 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.902 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.21 -52.31 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -145.55 -15.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 169.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -58.37 114.49 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -176.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.6 m -139.03 140.31 38.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -175.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.91 -59.49 2.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.7 mtp -81.29 -43.76 18.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.48 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -68.48 -38.46 81.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -165.041 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.8 -35.13 75.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -61.13 -45.08 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -69.61 -34.95 74.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.8 mmm -66.39 -35.03 79.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' HA ' ' HD3' ' A' ' 104' ' ' LYS . 99.6 mtt180 -67.8 -32.07 72.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 176.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.5 m -72.77 -40.06 66.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 174.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' HA3' HG11 ' A' ' 109' ' ' VAL . . . 82.11 21.47 60.86 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.439 178.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.86 -51.29 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.918 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.98 145.32 4.36 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.444 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -155.03 150.0 26.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.961 0.41 . . . . 0.0 110.849 -175.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.442 ' C ' HD23 ' A' ' 79' ' ' LEU . 9.1 tt -102.21 119.88 39.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.23 122.83 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.26 125.25 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.443 ' HB2' HD11 ' A' ' 113' ' ' LEU . 44.6 t80 -122.76 132.81 54.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.848 -177.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.14 135.74 33.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 173.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.8 mm -77.54 -34.82 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -167.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -90.07 -18.0 26.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -177.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -90.59 102.59 15.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.1 m -59.8 -38.65 82.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.39 -25.03 67.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -177.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.7 t -59.88 -42.42 93.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -65.92 -42.96 89.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.68 -41.58 99.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.0 -38.74 92.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.98 -42.56 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 178.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -58.22 -45.18 88.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -62.22 -47.58 83.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -61.87 -46.48 89.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -178.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -62.54 -53.47 54.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -176.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -67.84 -39.71 83.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.53 -52.34 40.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -176.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.24 -42.09 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.077 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.14 -43.29 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.61 -36.27 76.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.76 -42.93 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' A' ' 73' ' ' ARG . 62.6 pttt -89.1 -3.6 58.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 51.86 46.68 26.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 173.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.7 m -129.72 169.97 14.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -174.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -82.77 -174.95 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -178.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -67.3 140.0 57.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.426 HG11 ' HA3' ' A' ' 75' ' ' GLY . 35.3 m -121.5 161.83 39.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.657 0.741 . . . . 0.0 111.137 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -49.17 124.39 11.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.1 ttt -150.32 140.11 21.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -176.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.58 133.38 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 82' ' ' PHE . 35.2 tp -97.78 124.45 42.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.3 t -117.93 123.33 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.74 155.08 16.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -100.05 175.48 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 62.73 65.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 173.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.3 p -70.02 -15.99 63.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -86.29 -9.96 55.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.789 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.533 HD22 ' HD3' ' A' ' 123' ' ' ARG . 80.9 mt 55.01 41.48 31.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 175.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.8 -60.92 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -177.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -96.12 65.18 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.6 ' NE ' ' O ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -169.24 159.88 9.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.449 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.2 p -123.87 32.27 5.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.88 130.03 75.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.045 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -80.15 154.45 28.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -175.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.5 m -61.3 -38.24 86.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.2 -37.19 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -69.04 -43.88 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.02 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.04 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.062 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -65.52 -45.53 83.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -64.45 -30.74 71.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 133' ' ' LEU . 0.1 OUTLIER -64.31 -40.04 95.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 174.026 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.45 84.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 171.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -63.32 -33.01 74.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.2 m -63.77 -27.22 69.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 176.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.506 ' HB2' HG12 ' A' ' 139' ' ' ILE . 18.1 m-30 -91.06 -9.0 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 178.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.89 28.99 61.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.506 HG12 ' HB2' ' A' ' 137' ' ' TYR . 36.2 pt -132.01 158.75 74.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.749 0.785 . . . . 0.0 111.005 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.3 Cg_endo -73.04 154.85 52.8 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 178.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -119.62 128.69 54.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -121.36 124.74 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.067 173.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -107.57 126.73 52.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -146.59 177.28 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.6 t -111.68 122.6 48.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.82 -28.88 62.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -95.05 -55.73 2.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 58.0 p -97.63 -10.57 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -159.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -136.02 154.32 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -101.63 103.18 13.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 171.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.95 -22.84 3.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 177.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.87 -44.0 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 111.103 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.62 -43.4 93.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.0 -39.07 92.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.99 89.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -59.86 -45.56 92.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 175.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -65.63 -36.78 84.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 82.2 m -63.52 -42.74 98.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.18 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.32 -39.74 94.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.73 -40.02 87.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.1 -40.08 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -65.05 -34.7 79.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.7 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 171.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -64.96 -27.55 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -85.88 -48.01 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 79.2 m80 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -177.203 . . . . . . . . 0 0 . 1 stop_ save_