data_5vnt_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 5vnt _Structure_validation_residue.Date_analyzed 2017-05-05 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 full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.643 0.735 . . . . 72.35 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 146.01 58.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 65.24 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.56 166.29 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 75.33 111.083 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -117.88 144.85 35.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 62.43 110.827 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 156.01 64.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 62.12 112.319 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -67.59 -33.34 74.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 72.25 110.934 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.34 -27.74 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 63.31 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -21.8 15.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 75.41 110.854 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.36 133.86 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.921 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.9 165.24 22.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.934 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -41.2 99.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 71.14 111.137 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.1 p -128.34 43.57 3.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 73.41 111.15 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.36 150.64 22.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 73.44 110.809 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.21 10.26 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 72.43 111.134 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.81 160.33 1.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.574 0.702 . . . . 75.35 110.871 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 155.65 65.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 75.51 112.346 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 m -138.09 172.71 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.143 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.07 12.05 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 70.15 110.869 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.1 t0 66.61 74.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 70.44 110.833 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.29 -170.35 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 73.34 111.114 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -46.27 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.882 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.01 -42.58 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 63.31 111.119 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 t -66.11 -17.75 64.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.118 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -120.2 45.86 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.2 110.847 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -39.12 55.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.01 110.891 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -56.48 -30.28 62.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.908 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.3 -14.87 63.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 63.3 111.132 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -61.38 -13.65 21.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.961 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mt -85.4 163.0 18.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 63.13 110.908 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -71.4 152.5 43.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 73.45 110.91 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.9 p -51.75 -29.1 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.907 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.81 -58.57 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.894 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.79 -52.98 61.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 72.2 110.878 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -49.88 -55.98 12.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.915 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' GLY . 4.8 pttt -66.66 -24.27 66.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 72.4 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -75.54 -26.42 58.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 73.55 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.75 -31.73 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 75.11 110.901 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.452 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 70.6 m-85 -100.58 -11.11 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.51 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 69.51 7.91 58.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 75.41 112.502 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.7 mtp -135.38 139.39 44.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.877 0.37 . . . . 74.4 110.903 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -171.91 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 75.22 111.169 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -65.8 -54.83 21.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.934 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.1 -29.78 67.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 53.31 110.886 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.69 -47.84 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 42.52 111.129 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -70.33 -55.3 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 73.41 110.882 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 61' ' ' LYS . 13.8 m-85 -51.17 -29.45 13.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.919 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -42.46 85.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 71.22 110.882 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 68' ' ' PRO . 20.0 mt -51.99 160.94 1.04 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 71.32 110.876 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.9 Cg_endo -69.78 171.14 15.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.655 2.237 . . . . 73.35 112.334 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -66.18 -47.39 74.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.923 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.424 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.0 p-90 -56.97 -42.07 79.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 73.35 110.966 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.432 ' CB ' ' HG2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -76.64 -34.97 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 72.31 110.869 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.93 -38.89 92.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.25 110.91 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -75.42 -27.63 59.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.854 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -72.07 -53.17 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.917 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -40.39 91.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 75.13 110.843 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.452 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 2.2 mttt -46.65 -61.43 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.93 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -67.48 -27.09 66.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 74.35 110.885 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.95 -41.7 68.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 64.42 111.092 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 79' ' ' VAL . 1.3 m -96.57 15.06 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.14 111.202 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 69.12 30.12 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.879 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.0 mt -124.78 96.02 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 74.12 110.915 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.4 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.882 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.635 0.731 . . . . 74.43 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 162.06 43.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 74.23 112.311 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.21 177.21 5.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 62.31 111.099 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -117.59 137.13 23.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 71.01 110.867 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.6 59.78 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.667 2.245 . . . . 73.12 112.279 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -67.19 -32.85 74.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.925 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.09 -26.9 65.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 71.43 110.886 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -100.82 -25.61 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.902 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.25 134.31 33.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.939 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -129.39 169.74 14.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.44 110.936 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -41.17 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 74.14 111.226 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 p -126.31 43.6 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 53.24 111.138 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.63 146.66 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 63.22 110.843 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.8 p -106.07 14.75 27.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 73.12 111.055 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.8 160.89 0.99 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 74.12 110.854 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.02 67.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 75.32 112.342 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.99 172.77 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 72.24 111.076 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.5 m -88.51 12.5 14.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 75.41 110.841 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 68.37 75.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 73.11 110.836 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.51 -170.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 72.13 111.078 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -46.18 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.91 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 p -60.72 -32.57 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 75.14 111.083 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.4 p -74.98 -17.76 60.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 65.44 111.125 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -120.94 45.53 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 64.41 110.885 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -36.43 39.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.02 110.919 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -29.85 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.883 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.83 -14.33 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 71.51 111.031 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -60.61 -14.13 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 73.25 110.908 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 mt -85.44 161.94 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 74.54 110.944 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 m -71.26 153.12 42.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.861 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.21 -29.33 22.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 72.03 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -76.49 -58.04 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 75.12 110.917 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.76 -52.95 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 74.32 110.871 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -50.07 -56.6 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.04 110.819 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -66.69 -23.62 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 75.03 110.844 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -75.86 -26.29 56.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 72.43 110.896 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -92.84 -31.83 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.847 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.431 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 70.7 m-85 -99.25 -15.44 18.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 72.43 110.879 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 76.27 0.69 67.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 63.11 112.438 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.4 mmt -131.72 140.39 49.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.354 . . . . 74.53 110.897 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -171.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 65.21 111.152 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -66.33 -54.29 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.879 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.57 -29.99 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.904 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.47 -48.54 26.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 72.23 111.079 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -68.64 -55.39 11.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 64.44 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 61' ' ' LYS . 14.1 m-85 -51.46 -28.82 14.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.931 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -44.49 86.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 71.43 110.896 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mp -51.83 163.23 0.67 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 74.33 110.917 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.435 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.5 Cg_endo -69.78 170.08 17.43 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 73.43 112.288 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -46.79 74.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 75.15 110.875 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.427 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 29.9 p-90 -56.9 -42.24 79.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.264 -0.426 . . . . 75.35 110.888 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' CB ' ' HG2' ' A' ' 68' ' ' PRO . 33.2 tptt -76.93 -35.01 57.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 74.5 110.874 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -62.34 -38.92 91.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.882 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.62 -27.68 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.41 110.92 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -70.58 -53.41 16.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.15 110.894 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -36.65 78.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.88 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 5.5 mttt -47.66 -62.05 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 64.23 110.93 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -66.91 -27.11 67.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 74.55 110.951 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.34 67.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.998 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.431 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 1.3 m -97.55 14.19 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 74.52 111.142 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 69.94 28.46 4.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.955 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.6 mt -124.26 95.45 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 61.15 110.936 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.0 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.33 110.89 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.574 0.702 . . . . 74.12 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 139.83 41.25 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.736 2.291 . . . . 73.23 112.294 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.85 164.44 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 74.5 111.156 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -117.37 145.81 36.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 72.14 110.835 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 153.42 69.11 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.744 2.296 . . . . 74.13 112.347 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -67.35 -32.46 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 74.25 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.02 -26.81 64.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mtm-85 -100.55 -28.88 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 72.11 110.839 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 tp -86.05 134.29 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.835 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.02 173.27 10.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.901 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -41.25 79.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.14 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.8 p -128.31 43.76 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.41 111.178 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.14 142.78 27.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.851 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 p -99.62 17.59 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 71.32 111.135 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.49 160.24 1.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 62.4 110.879 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 154.13 68.67 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.708 2.272 . . . . 65.54 112.386 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 m -138.12 172.53 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.43 111.134 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.35 12.3 16.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.872 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 67.16 68.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 75.52 110.871 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.02 -169.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 72.44 111.192 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -46.2 98.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 75.43 110.858 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.62 -45.12 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.13 111.156 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -16.82 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 62.53 111.116 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -118.76 43.2 2.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.831 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -38.61 54.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 75.03 110.915 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -29.83 63.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 73.1 110.907 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.33 -13.78 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 63.14 111.122 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -60.86 -14.32 21.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.895 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mt -85.36 157.09 20.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 74.53 110.902 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.4 m -64.94 153.63 39.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 75.11 110.894 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -29.74 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 75.12 110.793 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.87 -57.53 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.11 110.863 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -61.14 -53.6 55.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 73.33 110.907 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -50.28 -56.22 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.873 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.8 ptmt -66.4 -23.9 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.891 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -76.35 -25.59 54.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 75.34 110.864 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -92.76 -31.78 14.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 71.12 110.848 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.435 ' CZ ' HG23 ' A' ' 79' ' ' VAL . 70.4 m-85 -99.04 -23.34 15.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.915 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 89.08 -8.49 79.73 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.744 -0.741 . . . . 73.34 112.531 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -123.35 141.33 52.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 74.34 110.952 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 172.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 72.53 111.133 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -54.5 -54.2 44.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 72.15 110.889 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -75.88 -43.7 44.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.89 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.66 -41.38 70.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 71.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -62.61 -45.41 92.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.5 110.927 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -56.88 -21.74 31.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 61.42 110.946 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -32.19 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 75.05 110.883 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mp -68.36 162.83 58.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 73.33 110.921 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.443 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 54.1 Cg_endo -69.8 171.46 14.46 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.739 2.292 . . . . 72.1 112.346 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -46.35 73.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.924 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.433 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.9 p-90 -57.83 -43.07 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 75.31 110.961 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' CB ' ' HG2' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -76.94 -32.98 57.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 74.54 110.888 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.47 -39.76 95.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 65.11 110.916 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -27.69 58.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 72.35 110.894 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -70.75 -53.48 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.928 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -37.54 76.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.875 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.402 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 37.9 mttt -47.27 -61.67 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.947 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.6 ptp -68.18 -26.96 66.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 73.53 110.9 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.59 67.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.44 111.062 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.435 HG23 ' CZ ' ' A' ' 57' ' ' PHE . 1.3 m -96.97 14.27 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.45 111.129 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 69.29 28.88 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.971 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.1 mt -124.94 95.52 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.938 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.4 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 70.14 110.887 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.622 0.725 . . . . 72.24 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 175.63 7.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 72.22 112.331 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.08 165.3 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.41 111.101 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -117.65 145.46 36.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.728 . . . . 73.35 110.817 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 158.53 56.59 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 75.05 112.36 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -67.44 -34.08 76.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 75.23 110.884 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -61.23 -26.71 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 74.21 110.855 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -94.89 -20.71 19.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.882 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mt -92.2 133.53 35.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 75.44 110.956 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -130.33 150.39 51.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.922 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -49.45 -40.59 37.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 71.4 111.158 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.8 p -127.87 42.67 3.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 74.43 111.155 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.77 158.83 23.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 74.34 110.916 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -122.55 3.43 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.24 111.195 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.72 160.38 1.09 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.535 0.683 . . . . 74.33 110.885 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 162.82 40.59 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.687 2.258 . . . . 64.22 112.332 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 m -137.94 173.55 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.092 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.91 12.76 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.833 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 68.35 83.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 62.52 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.401 ' HB ' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -140.21 -170.4 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.13 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -46.24 97.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.93 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.56 -43.3 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 71.23 111.106 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -17.22 64.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 73.42 111.147 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -122.31 47.02 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 72.44 110.839 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -39.1 55.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.91 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -56.76 -30.16 63.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 70.12 110.881 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.43 -13.27 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.32 111.093 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.401 ' CE2' ' HB ' ' A' ' 39' ' ' ILE . 13.6 m-30 -62.78 -12.9 27.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 64.52 110.959 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 mt -85.0 161.43 19.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 73.33 110.942 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.88 151.26 47.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 72.53 110.9 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.3 p -51.68 -29.16 17.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 71.33 110.878 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.09 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 74.51 110.847 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -60.98 -53.1 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.929 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -50.02 -56.04 12.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.1 110.933 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -66.69 -23.78 66.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 71.41 110.887 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.28 -25.99 55.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.817 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -92.65 -31.97 14.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.91 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 69.8 m-85 -99.74 -15.6 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 70.54 110.93 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 76.31 1.0 68.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 64.45 112.475 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.3 mmt -130.66 140.5 50.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 71.2 110.852 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 p -67.07 -172.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 65.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -65.51 -51.26 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.941 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -73.17 -30.41 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.14 110.914 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.37 -52.25 16.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 73.42 111.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.65 -56.49 20.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.898 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -53.95 -25.03 18.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.865 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -57.73 -30.02 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.904 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.69 164.67 48.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 75.31 110.929 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.9 Cg_endo -69.73 171.53 14.27 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.223 . . . . 74.13 112.375 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -47.3 72.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 75.24 110.901 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.438 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.5 p-90 -57.08 -43.22 81.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 74.01 110.94 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 70' ' ' TRP . 25.1 tttt -77.08 -31.64 56.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 72.4 110.906 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.46 -39.21 91.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.53 110.885 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.58 -27.57 58.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.919 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.15 -53.24 18.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.866 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -38.75 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.881 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 9.1 mttt -46.61 -61.47 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.21 110.965 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -68.15 -27.06 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.902 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.55 67.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 65.13 111.097 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 79' ' ' VAL . 1.3 m -96.6 14.68 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 75.12 111.117 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 69.18 30.32 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.951 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 mt -124.62 95.24 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.908 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.861 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.552 0.691 . . . . 73.24 110.947 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 136.89 34.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 72.25 112.32 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.6 163.23 24.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 75.34 111.102 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -118.22 146.82 40.25 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 72.33 110.86 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 158.25 57.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.666 2.244 . . . . 72.43 112.383 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -67.36 -33.61 75.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 71.55 110.966 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -26.79 68.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 73.45 110.816 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -95.57 -19.04 20.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 71.43 110.855 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mt -93.58 133.87 36.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.893 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.84 152.06 49.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 73.04 110.892 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.56 -41.09 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 72.32 111.173 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.3 p -128.2 43.64 3.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.23 111.175 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.62 151.54 24.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.858 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 p -116.8 6.78 13.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 74.54 111.213 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.24 161.62 0.73 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 74.41 110.86 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 159.04 54.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 75.23 112.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.92 173.54 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 74.3 111.157 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -86.44 12.78 9.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.144 -0.48 . . . . 64.14 110.823 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 69.62 76.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.871 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.74 -171.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 65.42 111.161 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.1 98.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.834 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.48 -43.19 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 61.44 111.099 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -65.01 -18.0 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.14 111.138 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -121.51 47.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.889 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.3 -38.56 53.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.818 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -56.81 -30.44 63.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 75.14 110.894 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.46 -13.36 62.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 73.44 111.115 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -62.57 -13.48 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 74.55 110.885 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.99 161.33 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.93 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.54 151.61 46.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 65.04 110.871 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -28.99 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 63.23 110.88 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -76.85 -58.71 3.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.862 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.43 -53.15 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.23 110.894 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -50.11 -55.7 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.941 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -66.86 -24.17 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.911 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.08 -25.24 55.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 64.32 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -93.13 -31.87 14.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.911 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 69.1 m-85 -99.59 -19.47 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 72.52 110.928 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 85.02 -8.51 69.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 75.03 112.495 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.0 mmt -124.51 140.24 53.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 74.41 110.867 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.2 p -60.46 174.37 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 75.41 111.148 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.2 -52.87 59.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 64.22 110.889 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.85 -46.51 29.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 73.11 110.914 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.47 -40.49 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 71.11 111.137 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -62.86 -44.05 97.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.81 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -56.91 -21.26 28.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.925 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -56.84 -40.33 75.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 73.1 110.854 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.16 163.29 6.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.618 0.723 . . . . 75.13 110.957 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.9 Cg_endo -69.82 170.76 15.89 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.705 2.27 . . . . 73.44 112.327 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -67.13 -46.64 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.947 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.433 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.0 p-90 -57.3 -42.94 82.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.899 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' CB ' ' HG2' ' A' ' 68' ' ' PRO . 26.4 tttt -76.97 -34.46 57.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.989 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.93 -42.67 85.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.899 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.93 -27.74 57.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.33 110.901 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -53.67 13.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.9 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.61 -40.34 68.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 73.54 110.865 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 10.5 mttt -46.47 -61.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 74.44 110.911 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -67.87 -27.1 66.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.896 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.91 -41.62 67.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 64.42 111.134 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.3 m -96.99 14.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.2 111.116 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 69.06 30.83 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.502 . . . . 74.03 110.877 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.6 mt -125.19 94.93 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 73.31 110.883 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.3 t80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 72.3 110.837 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.632 0.729 . . . . 74.11 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 135.23 29.99 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.602 2.202 . . . . 73.23 112.365 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.95 163.29 24.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.22 111.056 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -118.22 146.76 40.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.625 0.726 . . . . 53.14 110.77 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 159.09 54.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.769 2.313 . . . . 71.43 112.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -67.17 -34.02 76.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.877 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -26.61 68.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 62.44 110.916 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -92.51 -24.19 18.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.9 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.39 133.3 35.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 63.11 110.943 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -130.37 149.72 51.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 65.33 110.904 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -41.12 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 74.43 111.122 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.4 p -125.52 43.69 3.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 73.11 111.14 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.09 159.7 19.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 72.54 110.86 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.3 p -126.35 4.87 6.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 71.45 111.137 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.46 160.7 0.93 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 75.03 110.877 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 162.92 40.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.612 2.208 . . . . 74.24 112.411 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 m -138.09 173.97 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.03 111.072 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.41 12.73 9.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.4 110.871 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 t0 69.47 75.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 70.24 110.89 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.58 -170.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 73.34 111.119 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -46.69 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.851 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.05 -41.86 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 71.34 111.146 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.8 p -65.74 -17.01 64.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 72.44 111.108 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -124.35 49.03 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 73.34 110.885 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -39.11 56.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.873 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -56.76 -30.39 63.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.939 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 -12.65 61.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 71.32 111.117 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -63.39 -12.91 34.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.911 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt -84.78 159.75 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 72.24 110.882 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.8 150.22 48.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.885 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 p -51.44 -28.82 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 63.23 110.877 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -76.95 -58.74 3.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 73.31 110.878 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.38 -53.3 58.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 71.41 110.928 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -49.89 -55.85 12.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 71.31 110.804 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -67.04 -23.74 65.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.867 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.25 -25.55 55.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.951 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.86 -31.95 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 74.1 110.918 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 68.7 m-85 -99.5 -20.08 16.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.908 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 84.79 -8.76 67.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 63.35 112.473 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 mmt -120.35 140.76 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 75.14 110.834 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.29 169.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 73.42 111.158 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -53.7 -53.77 47.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.944 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.23 -44.51 37.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 65.55 110.927 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.93 -40.76 67.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.52 111.094 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -63.6 -45.59 89.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 74.45 110.889 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -54.82 -24.43 22.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 72.33 110.944 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -57.17 -23.57 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 75.11 110.892 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.2 mt -76.71 160.5 76.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.638 0.732 . . . . 72.34 110.917 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.44 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.4 Cg_endo -69.88 170.63 16.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.252 . . . . 64.45 112.305 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -66.94 -46.37 74.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.952 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.435 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 30.6 p-90 -57.56 -42.91 83.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.965 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.44 ' CB ' ' HG2' ' A' ' 68' ' ' PRO . 5.2 tptm -77.21 -32.24 55.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.836 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -41.35 96.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.895 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.43 -27.76 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 73.45 110.939 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -71.05 -52.84 17.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 73.45 110.862 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -39.2 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 74.22 110.879 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 13.4 mtpt -46.63 -61.51 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.899 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -67.5 -27.24 66.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.859 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.93 -41.74 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 61.3 111.033 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.3 m -96.85 14.49 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 61.33 111.108 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 69.7 29.61 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 73.23 110.956 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.7 mt -124.03 95.1 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 74.5 110.86 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.5 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.872 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.606 0.717 . . . . 72.12 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 174.55 9.3 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 74.25 112.361 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.24 177.43 4.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 74.01 111.037 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -117.46 134.87 23.1 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.631 0.729 . . . . 73.02 110.795 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 159.26 54.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 74.15 112.365 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -67.28 -33.12 74.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 75.2 110.886 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.3 -27.02 66.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 53.41 110.873 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 -98.21 -23.05 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 65.53 110.894 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.28 133.96 34.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 74.5 110.968 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.43 160.73 32.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 74.4 110.933 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -41.42 76.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 72.42 111.131 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.2 p -128.47 43.52 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 73.42 111.144 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.99 148.05 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 74.21 110.838 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.51 11.21 26.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.186 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.42 160.76 0.91 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.68 . . . . 71.25 110.918 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 156.5 63.07 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.594 2.196 . . . . 74.24 112.383 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 m -137.9 172.63 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 73.41 111.135 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 m -88.88 12.86 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 70.04 110.803 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.6 t0 68.54 76.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 70.31 110.855 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.34 -171.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 75.13 111.109 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.04 98.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 74.03 110.891 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.79 -42.28 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.43 111.076 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -17.65 64.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.23 111.179 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.2 mtm-85 -120.98 46.69 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 70.33 110.856 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -38.65 54.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -56.85 -30.5 63.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.58 -13.49 62.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.13 111.072 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -62.69 -13.3 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.884 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.93 162.45 19.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.933 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.63 151.39 45.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.786 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.7 t -51.69 -28.92 16.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 71.12 110.894 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -76.82 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.931 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.16 -53.09 60.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.921 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -49.94 -56.15 11.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 72.44 110.842 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 58' ' ' GLY . 7.9 ptmt -66.98 -24.31 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 70.02 110.844 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -76.17 -25.02 54.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 63.42 110.868 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -92.73 -31.47 15.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 71.41 110.898 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 69.1 m-85 -100.09 -20.48 16.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.862 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 84.65 -8.47 68.88 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.674 -0.774 . . . . 73.4 112.497 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.6 mtt -118.43 141.31 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 71.11 110.885 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.89 169.13 1.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 75.45 111.081 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -54.03 45.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.855 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.16 -43.26 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.11 110.889 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.17 -44.64 71.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 71.11 111.113 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.48 -47.08 86.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.927 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -53.33 -26.24 18.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 75.34 110.957 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.15 -26.1 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 74.31 110.883 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.1 mt -70.12 160.56 80.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.73 . . . . 71.23 110.9 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 54.2 Cg_endo -69.65 168.5 21.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 74.32 112.382 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -37.34 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 75.54 110.879 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.412 ' CD1' ' HB2' ' A' ' 68' ' ' PRO . 25.4 p-90 -66.08 -40.71 91.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.967 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.441 ' CB ' ' HG2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -77.92 -38.09 46.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 74.55 110.87 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.37 -39.29 79.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 75.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.42 -28.55 59.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.88 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.49 -53.34 12.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.4 110.906 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -40.11 85.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.891 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 6.8 mttt -46.41 -61.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 73.53 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.2 ptp -67.93 -27.01 66.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.04 110.895 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.09 -41.59 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 73.51 111.067 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.3 m -96.75 15.0 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 75.44 111.068 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 68.9 31.29 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 75.13 110.933 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.7 mt -126.2 95.83 4.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 60.43 110.858 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.4 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.905 179.87 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.638 0.732 . . . . 74.5 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 135.23 29.99 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.671 2.247 . . . . 74.33 112.418 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.95 161.91 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 72.41 111.154 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -117.9 146.78 39.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 75.22 110.879 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.59 56.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 63.23 112.318 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -67.34 -33.71 75.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.885 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -26.65 67.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 74.34 110.881 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -20.1 19.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.857 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mt -92.49 133.69 35.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.911 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.25 151.65 50.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 72.14 110.886 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.25 -41.23 37.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 72.53 111.163 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.8 p -127.91 43.65 3.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 75.22 111.144 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.74 153.17 24.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 75.03 110.871 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.3 p -118.26 5.82 11.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 74.44 111.121 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.82 161.12 0.96 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 72.33 110.839 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.14 50.82 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.668 2.245 . . . . 61.33 112.389 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.66 173.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.15 111.193 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.31 12.64 9.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 72.41 110.891 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t0 69.36 75.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 71.22 110.879 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.57 -171.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 72.5 111.116 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -46.89 97.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 72.23 110.855 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.45 -43.08 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 63.24 111.113 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -17.4 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 70.13 111.148 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -122.45 47.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.896 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -38.82 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 72.53 110.897 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -56.77 -30.43 63.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.09 -13.68 62.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 73.33 111.093 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -62.67 -13.27 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 74.35 110.936 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mt -84.71 161.58 19.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 73.22 110.954 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.76 151.84 46.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.14 110.888 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 p -51.89 -29.0 18.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.82 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -76.73 -58.24 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.841 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -53.1 60.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.868 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -50.16 -56.26 11.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.846 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.3 ptmm? -66.62 -24.35 66.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 65.42 110.987 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -75.5 -26.09 57.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 70.14 110.909 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -92.26 -31.71 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 73.4 110.849 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 70.3 m-85 -100.79 -11.56 19.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.836 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 69.65 8.53 60.38 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 70.44 112.516 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -134.51 139.83 45.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 72.15 110.878 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -174.66 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 73.31 111.175 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -51.52 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 63.22 110.903 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.44 -30.38 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 73.45 110.842 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.44 -51.49 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 72.35 111.125 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -62.68 -56.36 18.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -52.66 -27.13 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 72.01 110.9 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -27.31 63.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 74.33 110.893 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 68' ' ' PRO . 19.9 mt -69.88 161.47 74.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.599 0.714 . . . . 74.21 110.92 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.427 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.2 Cg_endo -69.79 172.33 12.87 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.735 2.29 . . . . 72.52 112.34 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.46 -48.63 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.417 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 32.7 p-90 -56.23 -42.02 76.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 75.14 110.909 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.427 ' CB ' ' HG2' ' A' ' 68' ' ' PRO . 1.5 tptt -76.75 -35.22 57.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.891 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -62.27 -38.99 91.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 73.12 110.934 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.41 -27.28 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 64.25 110.821 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -71.8 -53.14 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 75.1 110.926 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -40.88 95.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 75.53 110.883 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 11.4 mttt -46.49 -60.85 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.51 110.877 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -68.59 -27.04 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.878 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.68 67.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 55.32 111.132 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.3 m -95.9 14.55 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 54.12 111.087 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 69.3 31.08 4.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.43 110.936 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.7 mt -124.68 95.29 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.944 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.5 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 72.23 110.866 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.568 0.699 . . . . 75.33 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 143.77 51.96 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 70.24 112.365 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.18 175.15 5.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 75.52 111.083 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -122.6 129.79 24.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 73.14 110.862 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 158.9 55.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.681 2.254 . . . . 63.04 112.335 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -66.94 -33.18 75.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 74.15 110.957 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -27.06 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 63.51 110.895 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -99.14 -24.62 14.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.896 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.78 134.4 33.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.907 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -129.31 163.14 26.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.901 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.97 -41.4 82.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 73.23 111.198 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.9 p -128.32 43.51 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 71.42 111.121 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.49 147.88 24.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 45.13 110.878 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.1 p -108.12 12.37 26.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.097 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.62 161.14 0.9 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.588 0.708 . . . . 71.11 110.876 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.82 67.18 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.267 . . . . 75.11 112.257 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 m -137.91 172.47 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 71.22 111.091 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -88.5 12.48 14.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.856 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t70 67.98 78.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 70.1 110.912 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.99 -170.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.33 111.2 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -46.71 98.32 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 73.4 110.867 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.79 -41.57 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 63.44 111.164 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -17.78 64.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 74.14 111.194 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -120.21 46.01 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 71.41 110.918 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -51.34 -38.64 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.32 110.868 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -56.6 -30.37 63.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 65.25 110.904 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -14.28 62.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 73.41 111.106 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -62.03 -13.61 27.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.919 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mt -85.02 161.46 19.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 75.31 110.921 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 m -68.74 151.88 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.862 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.6 p -51.88 -29.02 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 62.41 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.63 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 72.51 110.927 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.53 -52.79 62.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.834 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -50.09 -56.15 12.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.863 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -66.73 -23.62 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 72.13 110.9 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.86 -26.25 56.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 72.04 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -92.18 -31.89 15.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 74.33 110.907 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 70.7 m-85 -100.43 -11.72 19.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 72.45 110.911 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 69.51 8.82 60.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 71.15 112.426 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -135.05 140.23 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 72.33 110.859 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -174.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 63.11 111.155 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -51.78 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.934 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.69 -30.37 62.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 62.12 110.884 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.35 -51.0 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 72.5 111.127 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -62.16 -56.17 21.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 74.4 110.853 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -54.46 -25.18 23.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.944 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -32.36 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 74.13 110.948 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.38 164.2 33.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 74.03 110.871 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 54.1 Cg_endo -69.72 170.8 15.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.655 2.237 . . . . 75.11 112.362 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -66.55 -48.7 68.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.876 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.432 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 30.9 p-90 -55.19 -42.64 73.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 70.13 110.874 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.432 ' N ' ' CG ' ' A' ' 70' ' ' TRP . 11.0 ttmt -76.76 -34.53 58.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 71.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -62.68 -41.52 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.05 110.948 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.35 -27.68 62.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.01 110.868 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -72.0 -52.52 16.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -40.81 90.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.878 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 14.5 mtpt -46.62 -61.5 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 73.15 110.931 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -67.6 -27.17 66.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 73.43 110.882 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.99 -41.48 67.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 72.11 111.066 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.432 ' O ' HG21 ' A' ' 79' ' ' VAL . 1.3 m -96.85 14.85 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.41 111.099 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 69.28 31.14 4.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 73.45 110.914 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.4 mt -125.95 95.87 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 74.3 110.866 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.841 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.632 0.73 . . . . 70.44 110.921 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 152.38 68.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 61.05 112.351 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.65 173.6 6.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 62.44 111.143 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -117.81 138.46 25.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 74.25 110.863 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 157.95 58.48 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 73.23 112.291 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -67.32 -32.81 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 71.25 110.95 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -27.01 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.892 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -96.28 -23.51 16.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.891 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.54 133.93 34.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.858 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.73 156.14 44.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.883 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.33 -41.29 60.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 75.31 111.138 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 63.0 p -128.59 43.6 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 74.34 111.14 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.67 150.05 24.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 72.4 110.917 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.61 9.37 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 71.34 111.149 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.43 161.07 0.85 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 71.44 110.87 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 157.62 59.86 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.705 2.27 . . . . 73.52 112.4 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 m -137.88 173.18 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 72.23 111.149 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.21 12.39 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.907 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 t70 68.69 77.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 73.22 110.884 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.42 -169.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.129 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -46.51 98.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 64.52 110.879 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.66 -42.39 91.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 65.45 111.126 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -65.86 -17.11 64.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 72.42 111.203 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.02 47.08 1.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.816 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -38.35 51.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.912 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -56.71 -30.85 63.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 71.24 110.897 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.69 -14.13 62.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 72.33 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -62.51 -13.5 31.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.897 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mt -85.18 156.83 20.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 74.44 110.966 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.4 m -63.92 151.94 41.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.886 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.0 p -52.3 -28.92 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.899 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -76.23 -58.21 3.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 73.34 110.866 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -61.88 -53.01 61.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.865 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.23 -56.49 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.886 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -66.5 -23.71 66.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.838 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.25 -25.81 55.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.993 0.425 . . . . 73.51 110.923 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -93.32 -31.43 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 75.41 110.847 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.452 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 69.1 m-85 -100.11 -16.67 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.869 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 83.96 -8.15 67.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 64.43 112.506 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.4 mtp -133.82 140.67 47.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 73.05 110.9 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.3 t -67.05 -173.38 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 73.22 111.148 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -58.96 -55.47 34.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.875 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -60.34 -54.04 50.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 73.1 110.934 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.48 -53.86 48.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.4 111.114 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -59.8 -55.91 28.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.876 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -51.58 -27.93 12.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.907 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -57.75 -29.66 64.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 74.43 110.937 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' HB3' ' HD2' ' A' ' 68' ' ' PRO . 20.0 mt -69.08 161.7 70.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.703 . . . . 73.13 110.935 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 67' ' ' LEU . 53.8 Cg_endo -69.72 171.57 14.18 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.772 2.315 . . . . 64.44 112.341 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -66.07 -48.76 69.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 73.42 110.912 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.7 p-90 -55.81 -42.2 75.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 75.2 110.904 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.425 ' CB ' ' HG2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -76.85 -33.95 57.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 75.25 110.922 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.8 -38.97 93.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 75.11 110.897 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -27.31 59.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.856 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -71.91 -53.19 13.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.862 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -40.43 93.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 65.34 110.828 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.452 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 10.3 mttt -46.4 -61.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 70.14 110.883 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 ptm -68.21 -26.99 65.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 72.03 110.905 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.05 -41.86 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 65.13 111.058 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 79' ' ' VAL . 1.3 m -96.13 15.44 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 74.22 111.107 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 68.39 32.32 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.924 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 mt -126.44 95.64 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.945 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.4 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.937 179.913 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.643 0.735 . . . . 72.35 110.897 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 146.01 58.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 62.34 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 47' ' ' TYR . . . -126.56 166.29 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 70.51 111.083 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.581 ' HB2' HD13 ' A' ' 28' ' ' LEU . 21.9 m-70 -117.88 144.85 35.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 62.43 110.827 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 156.01 64.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 62.12 112.319 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.678 ' HB2' HD11 ' A' ' 48' ' ' LEU . 36.9 t80 -67.59 -33.34 74.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 72.25 110.934 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.34 -27.74 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 63.31 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -21.8 15.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 72.24 110.854 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.883 HD23 HD22 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -91.36 133.86 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.921 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.9 165.24 22.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.934 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.487 HG23 ' C ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -62.7 -41.2 99.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 71.14 111.137 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.1 p -128.34 43.57 3.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 73.41 111.15 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.36 150.64 22.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 51.22 110.809 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.21 10.26 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 72.43 111.134 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.81 160.33 1.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.574 0.702 . . . . 54.31 110.871 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 155.65 65.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 75.51 112.346 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 m -138.09 172.71 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 75.41 111.143 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.07 12.05 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 51.14 110.869 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.1 t0 66.61 74.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 64.41 110.833 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.678 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -128.29 -170.35 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 73.34 111.114 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -46.27 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.882 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.01 -42.58 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 63.31 111.119 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.491 HG23 ' HG3' ' A' ' 43' ' ' ARG . 6.0 t -66.11 -17.75 64.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.118 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.491 ' HG3' HG23 ' A' ' 42' ' ' THR . 28.3 mtm180 -120.2 45.86 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.2 110.847 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -39.12 55.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.01 110.891 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -56.48 -30.28 62.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.908 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.3 -14.87 63.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 63.3 111.132 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.678 ' CD2' HD12 ' A' ' 39' ' ' ILE . 13.3 m-30 -61.38 -13.65 21.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 63.52 110.961 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.853 HD12 HD11 ' A' ' 81' ' ' LEU . 1.9 mt -85.4 163.0 18.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 61.33 110.908 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -71.4 152.5 43.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 73.45 110.91 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.9 p -51.75 -29.1 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.907 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.81 -58.57 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 70.42 110.894 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.737 ' CB ' HD22 ' A' ' 48' ' ' LEU . 18.1 mm-40 -61.79 -52.98 61.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 72.2 110.878 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -49.88 -55.98 12.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.915 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' GLY . 4.8 pttt -66.66 -24.27 66.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 60.02 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -75.54 -26.42 58.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 73.55 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.75 -31.73 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.33 110.901 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.46 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 70.6 m-85 -100.58 -11.11 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.51 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 69.51 7.91 58.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 41.11 112.502 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.7 mtp -135.38 139.39 44.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.877 0.37 . . . . 74.4 110.903 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -171.91 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 71.04 111.169 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -65.8 -54.83 21.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 71.25 110.934 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.1 -29.78 67.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 53.12 110.886 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.69 -47.84 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 33.24 111.129 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -70.33 -55.3 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 65.21 110.882 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 61' ' ' LYS . 13.8 m-85 -51.17 -29.45 13.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.919 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -42.46 85.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 60.21 110.882 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.636 HD13 ' HG2' ' A' ' 71' ' ' LYS . 20.0 mt -51.99 160.94 1.04 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 55.22 110.876 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.9 Cg_endo -69.78 171.14 15.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.655 2.237 . . . . 73.35 112.334 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -66.18 -47.39 74.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.923 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.424 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.0 p-90 -56.97 -42.07 79.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 73.35 110.966 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.636 ' HG2' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -76.64 -34.97 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 65.51 110.869 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.93 -38.89 92.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.22 110.91 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -75.42 -27.63 59.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.854 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -72.07 -53.17 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 62.31 110.917 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.478 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -60.54 -40.39 91.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 62.1 110.843 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 2.2 mttt -46.65 -61.43 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.93 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -67.48 -27.09 66.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 74.35 110.885 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.95 -41.7 68.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 61.34 111.092 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 79' ' ' VAL . 1.3 m -96.57 15.06 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 64.5 111.202 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.487 ' C ' HG23 ' A' ' 30' ' ' THR . 34.1 mt-30 69.12 30.12 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.879 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.883 HD22 HD23 ' A' ' 28' ' ' LEU . 17.0 mt -124.78 96.02 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.915 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.4 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 61.32 110.882 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.635 0.731 . . . . 71.13 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 162.06 43.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 73.15 112.311 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 47' ' ' TYR . . . -96.21 177.21 5.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 62.31 111.099 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.448 ' HB2' HD13 ' A' ' 28' ' ' LEU . 5.6 m-70 -117.59 137.13 23.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 71.01 110.867 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.6 59.78 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.667 2.245 . . . . 60.53 112.279 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.645 ' HB2' HD11 ' A' ' 48' ' ' LEU . 35.2 t80 -67.19 -32.85 74.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.925 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.09 -26.9 65.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 64.24 110.886 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -100.82 -25.61 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.902 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.868 HD23 HD22 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -88.25 134.31 33.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 55.55 110.939 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -129.39 169.74 14.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 35.01 110.936 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.553 HG23 ' C ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -67.27 -41.17 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 73.51 111.226 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 p -126.31 43.6 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 53.24 111.138 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.63 146.66 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 63.22 110.843 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.8 p -106.07 14.75 27.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 64.23 111.055 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.8 160.89 0.99 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 74.12 110.854 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.02 67.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 75.32 112.342 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.99 172.77 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 62.33 111.076 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.5 m -88.51 12.5 14.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 75.41 110.841 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 68.37 75.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 64.13 110.836 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.689 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -129.51 -170.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 60.23 111.078 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -46.18 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.91 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 p -60.72 -32.57 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 75.14 111.083 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.4 p -74.98 -17.76 60.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.125 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -120.94 45.53 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 63.24 110.885 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -36.43 39.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.02 110.919 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -29.85 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 64.32 110.883 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.83 -14.33 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 71.51 111.031 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.689 ' CD2' HD12 ' A' ' 39' ' ' ILE . 12.9 m-30 -60.61 -14.13 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 61.44 110.908 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.871 HD12 HD11 ' A' ' 81' ' ' LEU . 2.2 mt -85.44 161.94 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 74.54 110.944 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 m -71.26 153.12 42.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.861 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.21 -29.33 22.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 72.03 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -76.49 -58.04 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 54.24 110.917 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.734 ' CB ' HD22 ' A' ' 48' ' ' LEU . 1.1 mm-40 -61.76 -52.95 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 74.32 110.871 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -50.07 -56.6 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.04 110.819 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -66.69 -23.62 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 64.34 110.844 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -75.86 -26.29 56.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 72.43 110.896 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -92.84 -31.83 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.847 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.431 ' CD1' HG11 ' A' ' 79' ' ' VAL . 70.7 m-85 -99.25 -15.44 18.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 63.52 110.879 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 76.27 0.69 67.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 43.11 112.438 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.4 mmt -131.72 140.39 49.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.354 . . . . 74.53 110.897 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -171.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 61.02 111.152 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -66.33 -54.29 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.879 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.57 -29.99 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.904 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.47 -48.54 26.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 72.23 111.079 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -68.64 -55.39 11.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 64.44 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 61' ' ' LYS . 14.1 m-85 -51.46 -28.82 14.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.931 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -44.49 86.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 64.33 110.896 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.477 HD23 ' CG ' ' A' ' 71' ' ' LYS . 5.1 mp -51.83 163.23 0.67 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 42.21 110.917 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.445 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.5 Cg_endo -69.78 170.08 17.43 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 73.43 112.288 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -46.79 74.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 75.15 110.875 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.427 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 29.9 p-90 -56.9 -42.24 79.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.264 -0.426 . . . . 75.35 110.888 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.477 ' CG ' HD23 ' A' ' 67' ' ' LEU . 33.2 tptt -76.93 -35.01 57.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 54.43 110.874 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -62.34 -38.92 91.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.882 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.62 -27.68 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.41 110.92 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -70.58 -53.41 16.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 64.54 110.894 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.472 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -60.48 -36.65 78.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.88 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 5.5 mttt -47.66 -62.05 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 64.14 110.93 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -66.91 -27.11 67.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 74.55 110.951 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.84 -41.34 67.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.998 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 79' ' ' VAL . 1.3 m -97.55 14.19 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 74.22 111.142 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.553 ' C ' HG23 ' A' ' 30' ' ' THR . 29.5 mm-40 69.94 28.46 4.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.955 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.871 HD11 HD12 ' A' ' 48' ' ' LEU . 18.6 mt -124.26 95.45 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 60.33 110.936 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.0 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.33 110.89 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.574 0.702 . . . . 73.23 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 139.83 41.25 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.736 2.291 . . . . 73.23 112.294 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' A' ' 47' ' ' TYR . . . -122.85 164.44 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 70.45 111.156 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -117.37 145.81 36.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 72.14 110.835 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 153.42 69.11 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.744 2.296 . . . . 73.1 112.347 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.634 ' N ' HD21 ' A' ' 48' ' ' LEU . 33.4 t80 -67.35 -32.46 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 74.25 110.88 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.02 -26.81 64.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mtm-85 -100.55 -28.88 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 72.11 110.839 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.844 HD23 HD22 ' A' ' 81' ' ' LEU . 1.7 tp -86.05 134.29 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 53.41 110.835 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.02 173.27 10.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.901 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.54 HG23 ' C ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -68.65 -41.25 79.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 64.22 111.14 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.8 p -128.31 43.76 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 62.4 111.178 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.14 142.78 27.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.851 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 p -99.62 17.59 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 64.53 111.135 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.49 160.24 1.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 60.13 110.879 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 154.13 68.67 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.708 2.272 . . . . 65.54 112.386 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 m -138.12 172.53 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.54 111.134 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.35 12.3 16.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.872 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 67.16 68.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 75.52 110.871 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.652 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -122.02 -169.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 70.32 111.192 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -46.2 98.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.858 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.62 -45.12 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 65.52 111.156 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -16.82 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 62.01 111.116 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -118.76 43.2 2.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.831 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -38.61 54.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 75.03 110.915 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -29.83 63.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 73.1 110.907 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.33 -13.78 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 63.14 111.122 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.652 ' CD2' HD12 ' A' ' 39' ' ' ILE . 13.6 m-30 -60.86 -14.32 21.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 65.11 110.895 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.847 HD22 ' HB2' ' A' ' 52' ' ' GLU . 2.3 mt -85.36 157.09 20.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 74.53 110.902 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.4 m -64.94 153.63 39.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 55.54 110.894 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -29.74 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 64.31 110.793 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.87 -57.53 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.11 110.863 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.847 ' HB2' HD22 ' A' ' 48' ' ' LEU . 13.7 mm-40 -61.14 -53.6 55.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 73.33 110.907 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -50.28 -56.22 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.873 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.8 ptmt -66.4 -23.9 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.891 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -76.35 -25.59 54.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 53.4 110.864 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -92.76 -31.78 14.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 55.34 110.848 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CD1' HG11 ' A' ' 79' ' ' VAL . 70.4 m-85 -99.04 -23.34 15.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.915 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 89.08 -8.49 79.73 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.744 -0.741 . . . . 73.34 112.531 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -123.35 141.33 52.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 70.2 110.952 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 172.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 72.53 111.133 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -54.5 -54.2 44.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 61.42 110.889 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -75.88 -43.7 44.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 72.35 110.89 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.66 -41.38 70.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 71.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -62.61 -45.41 92.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.5 110.927 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -56.88 -21.74 31.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 54.43 110.946 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -32.19 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 71.31 110.883 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.666 HD23 ' HG2' ' A' ' 71' ' ' LYS . 6.3 mp -68.36 162.83 58.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 61.5 110.921 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.455 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 54.1 Cg_endo -69.8 171.46 14.46 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.739 2.292 . . . . 71.52 112.346 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -46.35 73.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 70.34 110.924 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.433 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.9 p-90 -57.83 -43.07 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 75.31 110.961 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.666 ' HG2' HD23 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -76.94 -32.98 57.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 71.11 110.888 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.47 -39.76 95.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 65.11 110.916 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -27.69 58.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 63.15 110.894 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -70.75 -53.48 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.928 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.447 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -58.67 -37.54 76.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.875 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.411 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 37.9 mttt -47.27 -61.67 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.947 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.6 ptp -68.18 -26.96 66.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 73.53 110.9 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.82 -41.59 67.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.44 111.062 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 79' ' ' VAL . 1.3 m -96.97 14.27 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 63.44 111.129 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.54 ' C ' HG23 ' A' ' 30' ' ' THR . 38.8 mm-40 69.29 28.88 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.971 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.844 HD22 HD23 ' A' ' 28' ' ' LEU . 22.1 mt -124.94 95.52 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.938 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.4 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 70.14 110.887 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.686 HD13 ' CG2' ' A' ' 39' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.622 0.725 . . . . 60.2 110.871 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 175.63 7.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 72.22 112.331 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.55 ' HB1' ' O ' ' A' ' 47' ' ' TYR . . . -123.08 165.3 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 43.21 111.101 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -117.65 145.46 36.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.728 . . . . 64.41 110.817 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 158.53 56.59 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 75.05 112.36 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.695 ' HB2' HD11 ' A' ' 48' ' ' LEU . 54.3 t80 -67.44 -34.08 76.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 75.23 110.884 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -61.23 -26.71 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 71.24 110.855 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -94.89 -20.71 19.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 72.52 110.882 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mt -92.2 133.53 35.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 75.44 110.956 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -130.33 150.39 51.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.922 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -49.45 -40.59 37.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 62.24 111.158 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.8 p -127.87 42.67 3.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 74.43 111.155 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.77 158.83 23.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 74.34 110.916 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -122.55 3.43 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.15 111.195 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.72 160.38 1.09 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.535 0.683 . . . . 74.14 110.885 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 162.82 40.59 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.687 2.258 . . . . 64.22 112.332 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 m -137.94 173.55 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 73.03 111.092 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.91 12.76 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 65.32 110.833 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' O ' HD22 ' A' ' 20' ' ' LEU . 4.3 t70 68.35 83.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 62.52 110.911 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.702 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -140.21 -170.4 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.13 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -46.24 97.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.93 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.56 -43.3 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 65.23 111.106 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -17.22 64.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 42.13 111.147 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -122.31 47.02 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.839 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -39.1 55.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.91 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -56.76 -30.16 63.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 70.12 110.881 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.43 -13.27 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 63.43 111.093 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.702 ' CD2' HD12 ' A' ' 39' ' ' ILE . 13.6 m-30 -62.78 -12.9 27.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 63.24 110.959 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 81' ' ' LEU . 1.6 mt -85.0 161.43 19.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 72.2 110.942 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.88 151.26 47.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 72.53 110.9 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.3 p -51.68 -29.16 17.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 65.25 110.878 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.09 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 74.51 110.847 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.716 ' CB ' HD22 ' A' ' 48' ' ' LEU . 8.2 mm-40 -60.98 -53.1 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.54 110.929 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -50.02 -56.04 12.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.1 110.933 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -66.69 -23.78 66.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 71.41 110.887 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.28 -25.99 55.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.817 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -92.65 -31.97 14.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 64.34 110.91 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.436 ' CD1' HG11 ' A' ' 79' ' ' VAL . 69.8 m-85 -99.74 -15.6 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 70.54 110.93 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 76.31 1.0 68.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 64.45 112.475 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.3 mmt -130.66 140.5 50.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 63.51 110.852 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 p -67.07 -172.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 65.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -65.51 -51.26 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.941 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -73.17 -30.41 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.14 110.914 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.37 -52.25 16.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 63.35 111.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.65 -56.49 20.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 75.34 110.898 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -53.95 -25.03 18.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.865 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -57.73 -30.02 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 73.41 110.904 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.741 HD23 ' HG2' ' A' ' 71' ' ' LYS . 6.0 mp -69.69 164.67 48.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 61.41 110.929 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.444 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.9 Cg_endo -69.73 171.53 14.27 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.223 . . . . 63.11 112.375 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -47.3 72.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 55.24 110.901 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.438 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.5 p-90 -57.08 -43.22 81.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 74.01 110.94 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.741 ' HG2' HD23 ' A' ' 67' ' ' LEU . 25.1 tttt -77.08 -31.64 56.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 65.33 110.906 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.46 -39.21 91.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.53 110.885 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.58 -27.57 58.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.919 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.15 -53.24 18.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.866 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.457 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -59.62 -38.75 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 74.14 110.881 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.434 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 9.1 mttt -46.61 -61.47 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 63.52 110.965 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -68.15 -27.06 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 71.22 110.902 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.84 -41.55 67.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 65.13 111.097 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 79' ' ' VAL . 1.3 m -96.6 14.68 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 75.12 111.117 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 69.18 30.32 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 51.34 110.951 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.821 HD11 HD12 ' A' ' 48' ' ' LEU . 16.5 mt -124.62 95.24 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.908 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.861 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.552 0.691 . . . . 73.24 110.947 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 136.89 34.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 71.52 112.32 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.514 ' HB1' ' O ' ' A' ' 47' ' ' TYR . . . -127.6 163.23 24.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 75.34 111.102 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -118.22 146.82 40.25 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 72.33 110.86 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 158.25 57.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.666 2.244 . . . . 63.43 112.383 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.716 ' HB2' HD11 ' A' ' 48' ' ' LEU . 49.9 t80 -67.36 -33.61 75.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 71.55 110.966 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -26.79 68.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 73.45 110.816 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -95.57 -19.04 20.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 71.43 110.855 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mt -93.58 133.87 36.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 63.22 110.893 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.84 152.06 49.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 70.53 110.892 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.56 -41.09 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 72.13 111.173 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.3 p -128.2 43.64 3.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.23 111.175 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.62 151.54 24.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.858 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 p -116.8 6.78 13.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 73.1 111.213 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.24 161.62 0.73 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 74.41 110.86 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 159.04 54.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 75.23 112.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.92 173.54 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 74.3 111.157 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -86.44 12.78 9.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.144 -0.48 . . . . 64.14 110.823 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.533 ' C ' HD13 ' A' ' 39' ' ' ILE . 2.0 m-20 69.62 76.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 61.24 110.871 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.533 HD13 ' C ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -131.74 -171.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 65.03 111.161 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.1 98.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.834 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.48 -43.19 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 61.44 111.099 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -65.01 -18.0 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.2 111.138 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -121.51 47.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.889 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.3 -38.56 53.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 61.24 110.818 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -56.81 -30.44 63.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 75.14 110.894 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.46 -13.36 62.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 73.44 111.115 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.514 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 13.4 m-30 -62.57 -13.48 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 74.55 110.885 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.83 HD12 HD11 ' A' ' 81' ' ' LEU . 1.7 mt -84.99 161.33 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.93 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.54 151.61 46.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 65.04 110.871 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -28.99 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 53.35 110.88 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -76.85 -58.71 3.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.862 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.72 ' CB ' HD22 ' A' ' 48' ' ' LEU . 8.4 mm-40 -61.43 -53.15 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.23 110.894 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -50.11 -55.7 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.941 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -66.86 -24.17 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 52.31 110.911 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.08 -25.24 55.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 64.32 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -93.13 -31.87 14.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.911 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 69.1 m-85 -99.59 -19.47 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.1 110.928 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 85.02 -8.51 69.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 75.03 112.495 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.0 mmt -124.51 140.24 53.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 54.12 110.867 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.2 p -60.46 174.37 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 64.24 111.148 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.2 -52.87 59.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 55.24 110.889 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.85 -46.51 29.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 73.11 110.914 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.47 -40.49 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 50.53 111.137 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -62.86 -44.05 97.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.81 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -56.91 -21.26 28.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.925 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -56.84 -40.33 75.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 71.51 110.854 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.705 HD23 ' HG2' ' A' ' 71' ' ' LYS . 6.7 mp -59.16 163.29 6.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.618 0.723 . . . . 74.12 110.957 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.444 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.9 Cg_endo -69.82 170.76 15.89 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.705 2.27 . . . . 71.32 112.327 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -67.13 -46.64 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 61.03 110.947 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.433 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.0 p-90 -57.3 -42.94 82.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 64.11 110.899 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.705 ' HG2' HD23 ' A' ' 67' ' ' LEU . 26.4 tttt -76.97 -34.46 57.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.989 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.93 -42.67 85.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.899 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.93 -27.74 57.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.33 110.901 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -53.67 13.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 53.01 110.9 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -54.61 -40.34 68.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 60.41 110.865 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 10.5 mttt -46.47 -61.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 74.44 110.911 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -67.87 -27.1 66.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 71.1 110.896 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.91 -41.62 67.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 62.41 111.134 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 79' ' ' VAL . 1.3 m -96.99 14.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.2 111.116 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 69.06 30.83 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.502 . . . . 73.33 110.877 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.83 HD11 HD12 ' A' ' 48' ' ' LEU . 16.6 mt -125.19 94.93 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 73.31 110.883 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.3 t80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 72.3 110.837 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.632 0.729 . . . . 73.01 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 135.23 29.99 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.602 2.202 . . . . 73.23 112.365 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 47' ' ' TYR . . . -126.95 163.29 24.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.22 111.056 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -118.22 146.76 40.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.625 0.726 . . . . 42.14 110.77 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 159.09 54.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.769 2.313 . . . . 45.41 112.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.709 ' HB2' HD11 ' A' ' 48' ' ' LEU . 58.3 t80 -67.17 -34.02 76.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.877 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -26.61 68.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 62.44 110.916 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -92.51 -24.19 18.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.9 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD23 ' NH1' ' A' ' 44' ' ' ARG . 1.5 mt -90.39 133.3 35.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 44.11 110.943 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -130.37 149.72 51.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 64.43 110.904 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -41.12 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 74.43 111.122 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.4 p -125.52 43.69 3.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 72.11 111.14 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.09 159.7 19.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 72.54 110.86 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.3 p -126.35 4.87 6.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 71.45 111.137 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.46 160.7 0.93 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 74.02 110.877 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 162.92 40.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.612 2.208 . . . . 63.44 112.411 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 m -138.09 173.97 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.12 111.072 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.412 ' HB2' HD11 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -86.41 12.73 9.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 71.14 110.871 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.537 ' C ' HD13 ' A' ' 39' ' ' ILE . 6.7 t0 69.47 75.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 70.24 110.89 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.537 HD13 ' C ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -131.58 -170.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 73.34 111.119 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -46.69 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.851 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.05 -41.86 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 64.21 111.146 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.8 p -65.74 -17.01 64.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 72.44 111.108 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -124.35 49.03 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 73.34 110.885 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.512 ' NH1' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -51.44 -39.11 56.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.873 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -56.76 -30.39 63.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.939 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 -12.65 61.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 51.14 111.117 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.518 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 13.6 m-30 -63.39 -12.91 34.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.911 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 81' ' ' LEU . 1.5 mt -84.78 159.75 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 60.12 110.882 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.8 150.22 48.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 61.31 110.885 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 p -51.44 -28.82 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 63.23 110.877 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -76.95 -58.74 3.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 65.24 110.878 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.694 ' CB ' HD22 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -61.38 -53.3 58.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 71.41 110.928 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -49.89 -55.85 12.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 61.42 110.804 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -67.04 -23.74 65.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 72.04 110.867 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.25 -25.55 55.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.951 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.86 -31.95 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 72.43 110.918 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 68.7 m-85 -99.5 -20.08 16.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 71.42 110.908 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 84.79 -8.76 67.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 63.35 112.473 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 mmt -120.35 140.76 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 71.34 110.834 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.29 169.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 73.42 111.158 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -53.7 -53.77 47.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 64.1 110.944 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.23 -44.51 37.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 65.55 110.927 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.93 -40.76 67.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.52 111.094 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -63.6 -45.59 89.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.889 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -54.82 -24.43 22.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 61.34 110.944 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -57.17 -23.57 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 75.11 110.892 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.2 mt -76.71 160.5 76.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.638 0.732 . . . . 72.34 110.917 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.4 Cg_endo -69.88 170.63 16.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.252 . . . . 50.12 112.305 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -66.94 -46.37 74.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 52.11 110.952 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.435 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 30.6 p-90 -57.56 -42.91 83.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 64.45 110.965 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 68' ' ' PRO . 5.2 tptm -77.21 -32.24 55.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 65.13 110.836 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -41.35 96.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.895 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.43 -27.76 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 73.45 110.939 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -71.05 -52.84 17.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 62.01 110.862 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -59.56 -39.2 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 60.1 110.879 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 13.4 mtpt -46.63 -61.51 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.899 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -67.5 -27.24 66.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.01 110.859 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.93 -41.74 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 54.25 111.033 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 79' ' ' VAL . 1.3 m -96.85 14.49 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 61.33 111.108 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 69.7 29.61 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 63.52 110.956 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.821 HD11 HD12 ' A' ' 48' ' ' LEU . 16.7 mt -124.03 95.1 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 74.5 110.86 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.5 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.872 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.606 0.717 . . . . 72.12 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 174.55 9.3 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 74.25 112.361 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.24 177.43 4.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 74.01 111.037 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.5 ' HB2' HD13 ' A' ' 28' ' ' LEU . 5.9 m-70 -117.46 134.87 23.1 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.631 0.729 . . . . 55.14 110.795 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 159.26 54.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 64.11 112.365 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.7 ' HB2' HD11 ' A' ' 48' ' ' LEU . 41.6 t80 -67.28 -33.12 74.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 75.2 110.886 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.3 -27.02 66.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 53.41 110.873 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 -98.21 -23.05 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 65.14 110.894 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.892 HD23 HD22 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -90.28 133.96 34.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 74.5 110.968 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.43 160.73 32.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 74.4 110.933 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -41.42 76.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 72.42 111.131 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.2 p -128.47 43.52 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 53.02 111.144 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.99 148.05 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 74.21 110.838 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.51 11.21 26.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 52.55 111.186 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.42 160.76 0.91 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.68 . . . . 63.54 110.918 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 156.5 63.07 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.594 2.196 . . . . 74.24 112.383 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 m -137.9 172.63 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 63.34 111.135 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.418 ' HB2' HD11 ' A' ' 39' ' ' ILE . 2.0 m -88.88 12.86 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 62.54 110.803 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.542 ' C ' HD13 ' A' ' 39' ' ' ILE . 13.6 t0 68.54 76.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 70.31 110.855 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.542 HD13 ' C ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -130.34 -171.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 51.33 111.109 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.04 98.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 73.34 110.891 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.79 -42.28 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.03 111.076 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -17.65 64.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.23 111.179 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.2 mtm-85 -120.98 46.69 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 70.33 110.856 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -38.65 54.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 65.24 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -56.85 -30.5 63.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.58 -13.49 62.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.13 111.072 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -62.69 -13.3 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.884 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.814 HD12 HD11 ' A' ' 81' ' ' LEU . 1.7 mt -84.93 162.45 19.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.933 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.63 151.39 45.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 54.14 110.786 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.7 t -51.69 -28.92 16.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 71.12 110.894 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -76.82 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 64.04 110.931 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.702 ' CB ' HD22 ' A' ' 48' ' ' LEU . 22.7 mm-40 -62.16 -53.09 60.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 71.13 110.921 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -49.94 -56.15 11.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 64.12 110.842 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 58' ' ' GLY . 7.9 ptmt -66.98 -24.31 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 70.02 110.844 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -76.17 -25.02 54.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 63.42 110.868 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -92.73 -31.47 15.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 71.33 110.898 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 69.1 m-85 -100.09 -20.48 16.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.862 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 84.65 -8.47 68.88 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.674 -0.774 . . . . 73.4 112.497 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.6 mtt -118.43 141.31 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 63.12 110.885 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.89 169.13 1.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 75.45 111.081 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -54.03 45.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.855 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.16 -43.26 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.11 110.889 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.17 -44.64 71.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 71.11 111.113 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.48 -47.08 86.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.927 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -53.33 -26.24 18.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 75.34 110.957 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.15 -26.1 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 74.31 110.883 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.478 HD13 ' HG2' ' A' ' 71' ' ' LYS . 20.1 mt -70.12 160.56 80.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.73 . . . . 61.53 110.9 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.45 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 54.2 Cg_endo -69.65 168.5 21.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 74.32 112.382 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -37.34 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 72.22 110.879 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.433 ' CD1' ' HB2' ' A' ' 68' ' ' PRO . 25.4 p-90 -66.08 -40.71 91.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.967 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' HG2' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -77.92 -38.09 46.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 65.4 110.87 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.37 -39.29 79.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 65.2 110.935 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.42 -28.55 59.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.88 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.49 -53.34 12.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.4 110.906 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -59.49 -40.11 85.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.891 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 6.8 mttt -46.41 -61.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 73.53 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.2 ptp -67.93 -27.01 66.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.04 110.895 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -54.09 -41.59 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 71.1 111.067 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 79' ' ' VAL . 1.3 m -96.75 15.0 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 75.44 111.068 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 68.9 31.29 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 75.13 110.933 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.892 HD22 HD23 ' A' ' 28' ' ' LEU . 17.7 mt -126.2 95.83 4.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 43.21 110.858 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.4 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 70.41 110.905 179.87 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.638 0.732 . . . . 74.5 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 135.23 29.99 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.671 2.247 . . . . 74.33 112.418 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 47' ' ' TYR . . . -127.95 161.91 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 72.41 111.154 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -117.9 146.78 39.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 75.22 110.879 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.59 56.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 61.23 112.318 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.713 ' HB2' HD11 ' A' ' 48' ' ' LEU . 49.8 t80 -67.34 -33.71 75.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.885 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -26.65 67.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 74.34 110.881 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -20.1 19.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.857 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mt -92.49 133.69 35.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 72.13 110.911 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.25 151.65 50.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 72.14 110.886 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.25 -41.23 37.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 55.31 111.163 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.8 p -127.91 43.65 3.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 75.22 111.144 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.74 153.17 24.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 54.54 110.871 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.3 p -118.26 5.82 11.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 74.44 111.121 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.82 161.12 0.96 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 72.33 110.839 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.14 50.82 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.668 2.245 . . . . 54.35 112.389 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.66 173.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.15 111.193 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.4 ' C ' HD13 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -86.31 12.64 9.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 72.41 110.891 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.538 ' C ' HD13 ' A' ' 39' ' ' ILE . 17.2 t0 69.36 75.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 71.22 110.879 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.538 HD13 ' C ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -131.57 -171.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 72.5 111.116 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -46.89 97.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 72.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.45 -43.08 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 63.24 111.113 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -17.4 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 63.23 111.148 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -122.45 47.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 71.44 110.896 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -38.82 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 72.53 110.897 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -56.77 -30.43 63.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.09 -13.68 62.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 73.33 111.093 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.509 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 13.3 m-30 -62.67 -13.27 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 63.12 110.936 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.827 HD12 HD11 ' A' ' 81' ' ' LEU . 1.8 mt -84.71 161.58 19.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 73.22 110.954 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.76 151.84 46.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 53.32 110.888 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 p -51.89 -29.0 18.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.82 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -76.73 -58.24 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.841 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.717 ' CB ' HD22 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -62.15 -53.1 60.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.868 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -50.16 -56.26 11.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.846 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.3 ptmm? -66.62 -24.35 66.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 54.21 110.987 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -75.5 -26.09 57.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 65.41 110.909 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -92.26 -31.71 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 73.4 110.849 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.457 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 70.3 m-85 -100.79 -11.56 19.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.836 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 69.65 8.53 60.38 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 63.31 112.516 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -134.51 139.83 45.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 64.13 110.878 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -174.66 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 72.12 111.175 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -51.52 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 62.45 110.903 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.44 -30.38 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 73.45 110.842 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.44 -51.49 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 72.35 111.125 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -62.68 -56.36 18.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -52.66 -27.13 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 72.01 110.9 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -27.31 63.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 74.33 110.893 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.632 HD13 ' HG2' ' A' ' 71' ' ' LYS . 19.9 mt -69.88 161.47 74.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.599 0.714 . . . . 65.32 110.92 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.438 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.2 Cg_endo -69.79 172.33 12.87 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.735 2.29 . . . . 51.32 112.34 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.46 -48.63 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 72.23 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.417 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 32.7 p-90 -56.23 -42.02 76.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 72.35 110.909 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.632 ' HG2' HD13 ' A' ' 67' ' ' LEU . 1.5 tptt -76.75 -35.22 57.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.891 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -62.27 -38.99 91.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 73.12 110.934 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.41 -27.28 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 54.32 110.821 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -71.8 -53.14 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 75.1 110.926 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.459 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -61.17 -40.88 95.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 75.53 110.883 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 11.4 mttt -46.49 -60.85 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.51 110.877 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -68.59 -27.04 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.878 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.84 -41.68 67.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 55.32 111.132 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 79' ' ' VAL . 1.3 m -95.9 14.55 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 54.12 111.087 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 69.3 31.08 4.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.43 110.936 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.827 HD11 HD12 ' A' ' 48' ' ' LEU . 15.7 mt -124.68 95.29 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.944 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.5 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 72.23 110.866 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.568 0.699 . . . . 75.2 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 143.77 51.96 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 70.24 112.365 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.18 175.15 5.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 75.52 111.083 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.51 ' HB2' HD13 ' A' ' 28' ' ' LEU . 3.8 m-70 -122.6 129.79 24.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 73.14 110.862 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 158.9 55.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.681 2.254 . . . . 62.32 112.335 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.715 ' HB2' HD11 ' A' ' 48' ' ' LEU . 40.2 t80 -66.94 -33.18 75.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.01 110.957 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -27.06 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 63.51 110.895 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -99.14 -24.62 14.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.896 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.878 HD23 HD22 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -88.78 134.4 33.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.907 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -129.31 163.14 26.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.901 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.97 -41.4 82.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 72.34 111.198 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.9 p -128.32 43.51 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 44.43 111.121 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.49 147.88 24.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 45.13 110.878 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.1 p -108.12 12.37 26.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 71.01 111.097 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.62 161.14 0.9 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.588 0.708 . . . . 64.24 110.876 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.82 67.18 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.267 . . . . 63.41 112.257 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 m -137.91 172.47 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 71.12 111.091 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -88.5 12.48 14.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.856 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t70 67.98 78.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 70.1 110.912 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.678 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -132.99 -170.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.33 111.2 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -46.71 98.32 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 63.51 110.867 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.79 -41.57 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 63.44 111.164 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -17.78 64.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 71.44 111.194 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -120.21 46.01 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 71.41 110.918 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -51.34 -38.64 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.22 110.868 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -56.6 -30.37 63.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 65.25 110.904 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -14.28 62.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 73.41 111.106 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.678 ' CD2' HD12 ' A' ' 39' ' ' ILE . 13.3 m-30 -62.03 -13.61 27.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 73.14 110.919 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.84 HD12 HD11 ' A' ' 81' ' ' LEU . 1.7 mt -85.02 161.46 19.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 75.31 110.921 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 m -68.74 151.88 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.862 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.6 p -51.88 -29.02 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 61.13 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.63 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 62.44 110.927 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.709 ' CB ' HD22 ' A' ' 48' ' ' LEU . 3.7 mm-40 -61.53 -52.79 62.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.834 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -50.09 -56.15 12.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 64.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -66.73 -23.62 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 43.44 110.9 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.86 -26.25 56.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 64.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -92.18 -31.89 15.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 74.33 110.907 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.46 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 70.7 m-85 -100.43 -11.72 19.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 71.44 110.911 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 69.51 8.82 60.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 71.15 112.426 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -135.05 140.23 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 72.33 110.859 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -174.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 63.11 111.155 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -51.78 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.934 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.69 -30.37 62.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 55.4 110.884 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.35 -51.0 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 72.5 111.127 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -62.16 -56.17 21.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 74.4 110.853 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -54.46 -25.18 23.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.944 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -32.36 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 72.31 110.948 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.548 HD23 ' HG2' ' A' ' 71' ' ' LYS . 5.9 mp -66.38 164.2 33.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 72.03 110.871 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.439 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 54.1 Cg_endo -69.72 170.8 15.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.655 2.237 . . . . 75.11 112.362 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -66.55 -48.7 68.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.876 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.432 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 30.9 p-90 -55.19 -42.64 73.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 62.41 110.874 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.548 ' HG2' HD23 ' A' ' 67' ' ' LEU . 11.0 ttmt -76.76 -34.53 58.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 71.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -62.68 -41.52 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.05 110.948 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.35 -27.68 62.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.54 110.868 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -72.0 -52.52 16.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 73.45 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.472 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -60.02 -40.81 90.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 64.11 110.878 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 14.5 mtpt -46.62 -61.5 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 73.15 110.931 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -67.6 -27.17 66.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 72.04 110.882 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.99 -41.48 67.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 64.25 111.066 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 79' ' ' VAL . 1.3 m -96.85 14.85 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 64.44 111.099 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 69.28 31.14 4.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 43.31 110.914 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.878 HD22 HD23 ' A' ' 28' ' ' LEU . 16.4 mt -125.95 95.87 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 74.3 110.866 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.841 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.632 0.73 . . . . 63.43 110.921 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 152.38 68.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 61.05 112.351 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.65 173.6 6.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 62.44 111.143 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.473 ' HB2' HD13 ' A' ' 28' ' ' LEU . 11.5 m-70 -117.81 138.46 25.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 74.25 110.863 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 157.95 58.48 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 73.23 112.291 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.672 ' HB2' HD11 ' A' ' 48' ' ' LEU . 45.1 t80 -67.32 -32.81 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 71.25 110.95 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -27.01 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.892 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -96.28 -23.51 16.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 71.52 110.891 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.853 HD23 HD22 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -89.54 133.93 34.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 61.15 110.858 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.73 156.14 44.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.883 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.33 -41.29 60.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 75.31 111.138 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 63.0 p -128.59 43.6 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.31 111.14 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.67 150.05 24.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 54.15 110.917 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.61 9.37 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 63.33 111.149 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.43 161.07 0.85 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 70.03 110.87 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 157.62 59.86 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.705 2.27 . . . . 71.41 112.4 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 m -137.88 173.18 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 72.23 111.149 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.21 12.39 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.907 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 t70 68.69 77.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 73.22 110.884 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.675 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -133.42 -169.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 74.42 111.129 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -46.51 98.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 64.52 110.879 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.66 -42.39 91.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 53.45 111.126 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -65.86 -17.11 64.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 72.42 111.203 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.02 47.08 1.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.816 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -38.35 51.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.912 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -56.71 -30.85 63.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 71.24 110.897 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.69 -14.13 62.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 72.33 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.675 ' CD2' HD12 ' A' ' 39' ' ' ILE . 13.3 m-30 -62.51 -13.5 31.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.897 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.798 HD12 HD11 ' A' ' 81' ' ' LEU . 1.9 mt -85.18 156.83 20.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 63.12 110.966 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.4 m -63.92 151.94 41.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 72.52 110.886 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.0 p -52.3 -28.92 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 34.2 110.899 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -76.23 -58.21 3.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 70.11 110.866 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.725 ' CB ' HD22 ' A' ' 48' ' ' LEU . 23.9 mt-10 -61.88 -53.01 61.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.865 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.23 -56.49 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.886 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -66.5 -23.71 66.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 73.13 110.838 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.25 -25.81 55.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.993 0.425 . . . . 73.51 110.923 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -93.32 -31.43 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 71.45 110.847 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 69.1 m-85 -100.11 -16.67 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 63.54 110.869 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 83.96 -8.15 67.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 45.51 112.506 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.4 mtp -133.82 140.67 47.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 63.44 110.9 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.3 t -67.05 -173.38 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 73.22 111.148 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -58.96 -55.47 34.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.875 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -60.34 -54.04 50.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 73.1 110.934 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.48 -53.86 48.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.52 111.114 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -59.8 -55.91 28.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 61.21 110.876 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -51.58 -27.93 12.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.907 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -57.75 -29.66 64.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 74.43 110.937 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.72 HD13 ' HG2' ' A' ' 71' ' ' LYS . 20.0 mt -69.08 161.7 70.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.703 . . . . 73.13 110.935 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.435 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.8 Cg_endo -69.72 171.57 14.18 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.772 2.315 . . . . 64.44 112.341 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -66.07 -48.76 69.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 64.12 110.912 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.7 p-90 -55.81 -42.2 75.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 72.25 110.904 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.72 ' HG2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.85 -33.95 57.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 73.3 110.922 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.8 -38.97 93.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 75.11 110.897 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -27.31 59.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 64.44 110.856 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -71.91 -53.19 13.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 52.2 110.862 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.464 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -60.88 -40.43 93.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 64.42 110.828 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 10.3 mttt -46.4 -61.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 70.14 110.883 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 ptm -68.21 -26.99 65.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 44.35 110.905 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -54.05 -41.86 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 65.13 111.058 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 79' ' ' VAL . 1.3 m -96.13 15.44 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 74.21 111.107 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 68.39 32.32 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.924 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.853 HD22 HD23 ' A' ' 28' ' ' LEU . 17.2 mt -126.44 95.64 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 72.31 110.945 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.4 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 70.14 110.937 179.913 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.643 0.735 . . . . 72.349999999999994 110.897 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 146.01 58.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 62.340000000000003 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 47' ' ' TYR . . . -126.56 166.29 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 70.510000000000005 111.083 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.581 ' HB2' HD13 ' A' ' 28' ' ' LEU . 21.9 m-70 -117.88 144.85 35.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 62.43 110.827 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 156.01 64.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 62.119999999999997 112.319 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.678 ' HB2' HD11 ' A' ' 48' ' ' LEU . 36.9 t80 -67.59 -33.34 74.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 72.25 110.934 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.34 -27.74 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 63.310000000000002 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -21.8 15.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 72.239999999999995 110.854 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.883 HD23 HD22 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -91.36 133.86 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.450000000000003 110.921 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.9 165.24 22.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 110.934 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.487 HG23 ' C ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -62.7 -41.2 99.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 71.140000000000001 111.137 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.1 p -128.34 43.57 3.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 73.409999999999997 111.15 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.36 150.64 22.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 51.219999999999999 110.809 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.21 10.26 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 72.430000000000007 111.134 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.81 160.33 1.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.574 0.702 . . . . 54.310000000000002 110.871 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 155.65 65.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 75.510000000000005 112.346 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 m -138.09 172.71 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 75.409999999999997 111.143 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.07 12.05 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 51.140000000000001 110.869 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.1 t0 66.61 74.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 64.409999999999997 110.833 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.678 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -128.29 -170.35 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 111.114 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -46.27 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 75.299999999999997 110.882 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.01 -42.58 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 63.310000000000002 111.119 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.491 HG23 ' HG3' ' A' ' 43' ' ' ARG . 6.0 t -66.11 -17.75 64.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.409999999999997 111.118 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.491 ' HG3' HG23 ' A' ' 42' ' ' THR . 28.3 mtm180 -120.2 45.86 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.200000000000003 110.847 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -39.12 55.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.010000000000005 110.891 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -56.48 -30.28 62.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 74.120000000000005 110.908 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.3 -14.87 63.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 63.299999999999997 111.132 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.678 ' CD2' HD12 ' A' ' 39' ' ' ILE . 13.3 m-30 -61.38 -13.65 21.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 63.520000000000003 110.961 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.853 HD12 HD11 ' A' ' 81' ' ' LEU . 1.9 mt -85.4 163.0 18.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 61.329999999999998 110.908 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -71.4 152.5 43.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 73.450000000000003 110.91 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.9 p -51.75 -29.1 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.150000000000006 110.907 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.81 -58.57 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 70.420000000000002 110.894 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.737 ' CB ' HD22 ' A' ' 48' ' ' LEU . 18.1 mm-40 -61.79 -52.98 61.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 72.200000000000003 110.878 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -49.88 -55.98 12.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 75.450000000000003 110.915 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' GLY . 4.8 pttt -66.66 -24.27 66.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 60.020000000000003 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -75.54 -26.42 58.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 73.549999999999997 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.75 -31.73 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.329999999999998 110.901 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.46 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 70.6 m-85 -100.58 -11.11 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.510000000000005 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 69.51 7.91 58.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 41.109999999999999 112.502 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.7 mtp -135.38 139.39 44.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.877 0.37 . . . . 74.400000000000006 110.903 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -171.91 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 71.040000000000006 111.169 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -65.8 -54.83 21.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 71.25 110.934 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.1 -29.78 67.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 53.119999999999997 110.886 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.69 -47.84 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 33.240000000000002 111.129 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -70.33 -55.3 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 65.209999999999994 110.882 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 61' ' ' LYS . 13.8 m-85 -51.17 -29.45 13.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 75.420000000000002 110.919 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -42.46 85.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 60.210000000000001 110.882 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.636 HD13 ' HG2' ' A' ' 71' ' ' LYS . 20.0 mt -51.99 160.94 1.04 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 55.219999999999999 110.876 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.9 Cg_endo -69.78 171.14 15.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.655 2.237 . . . . 73.349999999999994 112.334 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -66.18 -47.39 74.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.409999999999997 110.923 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.424 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.0 p-90 -56.97 -42.07 79.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 73.349999999999994 110.966 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.636 ' HG2' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -76.64 -34.97 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 65.510000000000005 110.869 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.93 -38.89 92.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.219999999999999 110.91 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -75.42 -27.63 59.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 73.129999999999995 110.854 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -72.07 -53.17 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 62.310000000000002 110.917 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.478 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -60.54 -40.39 91.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 62.100000000000001 110.843 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 2.2 mttt -46.65 -61.43 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 74.129999999999995 110.93 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -67.48 -27.09 66.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 74.349999999999994 110.885 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.95 -41.7 68.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 61.340000000000003 111.092 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.3 m -96.57 15.06 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 64.5 111.202 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.487 ' C ' HG23 ' A' ' 30' ' ' THR . 34.1 mt-30 69.12 30.12 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 110.879 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.883 HD22 HD23 ' A' ' 28' ' ' LEU . 17.0 mt -124.78 96.02 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 110.915 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.4 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 61.32 110.882 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.635 0.731 . . . . 71.129999999999995 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 162.06 43.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 73.150000000000006 112.311 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 47' ' ' TYR . . . -96.21 177.21 5.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 62.310000000000002 111.099 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.448 ' HB2' HD13 ' A' ' 28' ' ' LEU . 5.6 m-70 -117.59 137.13 23.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 71.010000000000005 110.867 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.6 59.78 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.667 2.245 . . . . 60.530000000000001 112.279 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.645 ' HB2' HD11 ' A' ' 48' ' ' LEU . 35.2 t80 -67.19 -32.85 74.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.219999999999999 110.925 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.09 -26.9 65.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 64.239999999999995 110.886 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -100.82 -25.61 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 110.902 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.868 HD23 HD22 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -88.25 134.31 33.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 55.549999999999997 110.939 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -129.39 169.74 14.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 35.009999999999998 110.936 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.553 HG23 ' C ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -67.27 -41.17 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 73.510000000000005 111.226 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 p -126.31 43.6 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 53.240000000000002 111.138 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.63 146.66 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 63.219999999999999 110.843 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.8 p -106.07 14.75 27.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 64.230000000000004 111.055 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.8 160.89 0.99 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 74.120000000000005 110.854 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.02 67.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 75.319999999999993 112.342 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.99 172.77 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 62.329999999999998 111.076 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.5 m -88.51 12.5 14.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 75.409999999999997 110.841 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 68.37 75.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 64.129999999999995 110.836 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.689 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -129.51 -170.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 60.229999999999997 111.078 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -46.18 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.91 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 p -60.72 -32.57 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 75.140000000000001 111.083 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.4 p -74.98 -17.76 60.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 64.319999999999993 111.125 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -120.94 45.53 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 63.240000000000002 110.885 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -36.43 39.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.019999999999996 110.919 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -29.85 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 64.319999999999993 110.883 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.83 -14.33 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 71.510000000000005 111.031 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.689 ' CD2' HD12 ' A' ' 39' ' ' ILE . 12.9 m-30 -60.61 -14.13 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 61.439999999999998 110.908 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.871 HD12 HD11 ' A' ' 81' ' ' LEU . 2.2 mt -85.44 161.94 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 74.540000000000006 110.944 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 m -71.26 153.12 42.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 110.861 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.21 -29.33 22.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 72.030000000000001 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -76.49 -58.04 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 54.240000000000002 110.917 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.734 ' CB ' HD22 ' A' ' 48' ' ' LEU . 1.1 mm-40 -61.76 -52.95 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 74.319999999999993 110.871 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -50.07 -56.6 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.040000000000006 110.819 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -66.69 -23.62 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 64.340000000000003 110.844 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -75.86 -26.29 56.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 72.430000000000007 110.896 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -92.84 -31.83 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 110.847 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.431 ' CD1' HG11 ' A' ' 79' ' ' VAL . 70.7 m-85 -99.25 -15.44 18.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 63.520000000000003 110.879 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 76.27 0.69 67.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 43.109999999999999 112.438 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.4 mmt -131.72 140.39 49.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.354 . . . . 74.530000000000001 110.897 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -171.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 61.020000000000003 111.152 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -66.33 -54.29 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 72.140000000000001 110.879 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.57 -29.99 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.430000000000007 110.904 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.47 -48.54 26.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 72.230000000000004 111.079 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -68.64 -55.39 11.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 64.439999999999998 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 61' ' ' LYS . 14.1 m-85 -51.46 -28.82 14.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 73.230000000000004 110.931 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -44.49 86.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 64.329999999999998 110.896 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.477 HD23 ' CG ' ' A' ' 71' ' ' LYS . 5.1 mp -51.83 163.23 0.67 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 42.210000000000001 110.917 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.445 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.5 Cg_endo -69.78 170.08 17.43 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 73.430000000000007 112.288 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -46.79 74.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 75.150000000000006 110.875 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.427 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 29.9 p-90 -56.9 -42.24 79.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.264 -0.426 . . . . 75.349999999999994 110.888 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.477 ' CG ' HD23 ' A' ' 67' ' ' LEU . 33.2 tptt -76.93 -35.01 57.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 54.43 110.874 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -62.34 -38.92 91.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 75.430000000000007 110.882 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.62 -27.68 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 110.92 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -70.58 -53.41 16.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 64.540000000000006 110.894 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.472 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -60.48 -36.65 78.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.040000000000006 110.88 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 5.5 mttt -47.66 -62.05 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 64.140000000000001 110.93 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -66.91 -27.11 67.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 74.549999999999997 110.951 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.84 -41.34 67.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.519999999999996 110.998 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.3 m -97.55 14.19 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 74.219999999999999 111.142 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.553 ' C ' HG23 ' A' ' 30' ' ' THR . 29.5 mm-40 69.94 28.46 4.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 74.430000000000007 110.955 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.871 HD11 HD12 ' A' ' 48' ' ' LEU . 18.6 mt -124.26 95.45 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 60.329999999999998 110.936 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.0 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.329999999999998 110.89 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.574 0.702 . . . . 73.230000000000004 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 139.83 41.25 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.736 2.291 . . . . 73.230000000000004 112.294 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' A' ' 47' ' ' TYR . . . -122.85 164.44 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 70.450000000000003 111.156 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -117.37 145.81 36.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 72.140000000000001 110.835 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 153.42 69.11 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.744 2.296 . . . . 73.099999999999994 112.347 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.634 ' N ' HD21 ' A' ' 48' ' ' LEU . 33.4 t80 -67.35 -32.46 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 74.25 110.88 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.02 -26.81 64.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 74.319999999999993 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mtm-85 -100.55 -28.88 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 72.109999999999999 110.839 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.844 HD23 HD22 ' A' ' 81' ' ' LEU . 1.7 tp -86.05 134.29 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 53.409999999999997 110.835 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.02 173.27 10.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 73.299999999999997 110.901 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.54 HG23 ' C ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -68.65 -41.25 79.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 64.219999999999999 111.14 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.8 p -128.31 43.76 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 62.399999999999999 111.178 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.14 142.78 27.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 72.140000000000001 110.851 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 p -99.62 17.59 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 64.530000000000001 111.135 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.49 160.24 1.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 60.130000000000003 110.879 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 154.13 68.67 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.708 2.272 . . . . 65.540000000000006 112.386 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 m -138.12 172.53 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.540000000000006 111.134 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.35 12.3 16.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 75.230000000000004 110.872 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 67.16 68.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 75.519999999999996 110.871 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.652 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -122.02 -169.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 70.319999999999993 111.192 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -46.2 98.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 74.430000000000007 110.858 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.62 -45.12 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 65.519999999999996 111.156 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -16.82 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 62.009999999999998 111.116 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -118.76 43.2 2.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.409999999999997 110.831 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -38.61 54.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 75.030000000000001 110.915 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -29.83 63.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 73.099999999999994 110.907 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.33 -13.78 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 63.140000000000001 111.122 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.652 ' CD2' HD12 ' A' ' 39' ' ' ILE . 13.6 m-30 -60.86 -14.32 21.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 65.109999999999999 110.895 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.847 HD22 ' HB2' ' A' ' 52' ' ' GLU . 2.3 mt -85.36 157.09 20.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 74.530000000000001 110.902 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.4 m -64.94 153.63 39.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 55.539999999999999 110.894 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -29.74 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 64.310000000000002 110.793 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.87 -57.53 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.109999999999999 110.863 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.847 ' HB2' HD22 ' A' ' 48' ' ' LEU . 13.7 mm-40 -61.14 -53.6 55.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 73.329999999999998 110.907 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -50.28 -56.22 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 110.873 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.8 ptmt -66.4 -23.9 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.140000000000001 110.891 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -76.35 -25.59 54.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 53.399999999999999 110.864 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -92.76 -31.78 14.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 55.340000000000003 110.848 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CD1' HG11 ' A' ' 79' ' ' VAL . 70.4 m-85 -99.04 -23.34 15.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 75.099999999999994 110.915 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 89.08 -8.49 79.73 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.744 -0.741 . . . . 73.340000000000003 112.531 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -123.35 141.33 52.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 70.200000000000003 110.952 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 172.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 72.530000000000001 111.133 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -54.5 -54.2 44.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 61.420000000000002 110.889 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -75.88 -43.7 44.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 72.349999999999994 110.89 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.66 -41.38 70.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 71.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -62.61 -45.41 92.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.5 110.927 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -56.88 -21.74 31.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 54.43 110.946 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -32.19 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 71.310000000000002 110.883 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.666 HD23 ' HG2' ' A' ' 71' ' ' LYS . 6.3 mp -68.36 162.83 58.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 61.5 110.921 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.455 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 54.1 Cg_endo -69.8 171.46 14.46 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.739 2.292 . . . . 71.519999999999996 112.346 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -46.35 73.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 70.340000000000003 110.924 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.433 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.9 p-90 -57.83 -43.07 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 75.310000000000002 110.961 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.666 ' HG2' HD23 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -76.94 -32.98 57.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 71.109999999999999 110.888 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.47 -39.76 95.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 65.109999999999999 110.916 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -27.69 58.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 63.149999999999999 110.894 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -70.75 -53.48 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.928 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.447 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -58.67 -37.54 76.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.875 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.411 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 37.9 mttt -47.27 -61.67 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.140000000000001 110.947 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.6 ptp -68.18 -26.96 66.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 73.530000000000001 110.9 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.82 -41.59 67.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.439999999999998 111.062 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.3 m -96.97 14.27 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 63.439999999999998 111.129 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.54 ' C ' HG23 ' A' ' 30' ' ' THR . 38.8 mm-40 69.29 28.88 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 73.329999999999998 110.971 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.844 HD22 HD23 ' A' ' 28' ' ' LEU . 22.1 mt -124.94 95.52 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.299999999999997 110.938 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.4 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 70.140000000000001 110.887 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.686 HD13 ' CG2' ' A' ' 39' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.622 0.725 . . . . 60.200000000000003 110.871 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 175.63 7.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 72.219999999999999 112.331 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.55 ' HB1' ' O ' ' A' ' 47' ' ' TYR . . . -123.08 165.3 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 43.210000000000001 111.101 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -117.65 145.46 36.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.728 . . . . 64.409999999999997 110.817 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 158.53 56.59 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 75.049999999999997 112.36 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.695 ' HB2' HD11 ' A' ' 48' ' ' LEU . 54.3 t80 -67.44 -34.08 76.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 75.230000000000004 110.884 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -61.23 -26.71 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 71.239999999999995 110.855 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -94.89 -20.71 19.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 72.519999999999996 110.882 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mt -92.2 133.53 35.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 75.439999999999998 110.956 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -130.33 150.39 51.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.310000000000002 110.922 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -49.45 -40.59 37.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 62.240000000000002 111.158 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.8 p -127.87 42.67 3.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 74.430000000000007 111.155 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.77 158.83 23.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 74.340000000000003 110.916 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -122.55 3.43 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.150000000000006 111.195 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.72 160.38 1.09 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.535 0.683 . . . . 74.140000000000001 110.885 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 162.82 40.59 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.687 2.258 . . . . 64.219999999999999 112.332 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 m -137.94 173.55 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 73.030000000000001 111.092 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.91 12.76 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 65.319999999999993 110.833 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' O ' HD22 ' A' ' 20' ' ' LEU . 4.3 t70 68.35 83.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 62.520000000000003 110.911 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.702 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -140.21 -170.4 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.439999999999998 111.13 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -46.24 97.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.93 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.56 -43.3 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 65.230000000000004 111.106 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -17.22 64.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 42.130000000000003 111.147 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -122.31 47.02 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 72.329999999999998 110.839 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -39.1 55.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.109999999999999 110.91 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -56.76 -30.16 63.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 70.120000000000005 110.881 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.43 -13.27 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 63.43 111.093 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.702 ' CD2' HD12 ' A' ' 39' ' ' ILE . 13.6 m-30 -62.78 -12.9 27.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 63.240000000000002 110.959 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 81' ' ' LEU . 1.6 mt -85.0 161.43 19.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 72.200000000000003 110.942 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.88 151.26 47.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 72.530000000000001 110.9 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.3 p -51.68 -29.16 17.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 65.25 110.878 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.09 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 74.510000000000005 110.847 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.716 ' CB ' HD22 ' A' ' 48' ' ' LEU . 8.2 mm-40 -60.98 -53.1 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.540000000000006 110.929 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -50.02 -56.04 12.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.099999999999994 110.933 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -66.69 -23.78 66.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 71.409999999999997 110.887 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.28 -25.99 55.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 72.230000000000004 110.817 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -92.65 -31.97 14.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 64.340000000000003 110.91 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.436 ' CD1' HG11 ' A' ' 79' ' ' VAL . 69.8 m-85 -99.74 -15.6 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 70.540000000000006 110.93 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 76.31 1.0 68.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 64.450000000000003 112.475 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.3 mmt -130.66 140.5 50.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 63.509999999999998 110.852 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 p -67.07 -172.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 65.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -65.51 -51.26 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.420000000000002 110.941 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -73.17 -30.41 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.140000000000001 110.914 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.37 -52.25 16.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 63.350000000000001 111.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.65 -56.49 20.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 75.340000000000003 110.898 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -53.95 -25.03 18.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 74.420000000000002 110.865 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -57.73 -30.02 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 73.409999999999997 110.904 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.741 HD23 ' HG2' ' A' ' 71' ' ' LYS . 6.0 mp -69.69 164.67 48.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 61.409999999999997 110.929 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.444 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.9 Cg_endo -69.73 171.53 14.27 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.223 . . . . 63.109999999999999 112.375 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -47.3 72.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 55.240000000000002 110.901 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.438 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.5 p-90 -57.08 -43.22 81.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 74.010000000000005 110.94 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.741 ' HG2' HD23 ' A' ' 67' ' ' LEU . 25.1 tttt -77.08 -31.64 56.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 65.329999999999998 110.906 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.46 -39.21 91.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.530000000000001 110.885 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.58 -27.57 58.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.310000000000002 110.919 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.15 -53.24 18.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 74.310000000000002 110.866 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.457 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -59.62 -38.75 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 74.140000000000001 110.881 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.434 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 9.1 mttt -46.61 -61.47 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 63.520000000000003 110.965 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -68.15 -27.06 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 71.219999999999999 110.902 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.84 -41.55 67.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 65.129999999999995 111.097 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.3 m -96.6 14.68 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 75.120000000000005 111.117 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 69.18 30.32 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 51.340000000000003 110.951 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.821 HD11 HD12 ' A' ' 48' ' ' LEU . 16.5 mt -124.62 95.24 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 110.908 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.519999999999996 110.861 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.552 0.691 . . . . 73.239999999999995 110.947 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 136.89 34.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 71.519999999999996 112.32 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.514 ' HB1' ' O ' ' A' ' 47' ' ' TYR . . . -127.6 163.23 24.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 75.340000000000003 111.102 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -118.22 146.82 40.25 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 72.329999999999998 110.86 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 158.25 57.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.666 2.244 . . . . 63.43 112.383 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.716 ' HB2' HD11 ' A' ' 48' ' ' LEU . 49.9 t80 -67.36 -33.61 75.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 71.549999999999997 110.966 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -26.79 68.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 73.450000000000003 110.816 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -95.57 -19.04 20.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 71.430000000000007 110.855 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mt -93.58 133.87 36.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 63.219999999999999 110.893 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.84 152.06 49.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 70.530000000000001 110.892 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.56 -41.09 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 72.129999999999995 111.173 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.3 p -128.2 43.64 3.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.230000000000004 111.175 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.62 151.54 24.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 74.239999999999995 110.858 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 p -116.8 6.78 13.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 73.099999999999994 111.213 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.24 161.62 0.73 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 74.409999999999997 110.86 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 159.04 54.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 75.230000000000004 112.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.92 173.54 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 74.299999999999997 111.157 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -86.44 12.78 9.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.144 -0.48 . . . . 64.140000000000001 110.823 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.533 ' C ' HD13 ' A' ' 39' ' ' ILE . 2.0 m-20 69.62 76.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 61.240000000000002 110.871 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.533 HD13 ' C ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -131.74 -171.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 65.030000000000001 111.161 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.1 98.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 110.834 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.48 -43.19 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 61.439999999999998 111.099 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -65.01 -18.0 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.200000000000003 111.138 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -121.51 47.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 74.120000000000005 110.889 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.3 -38.56 53.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 61.240000000000002 110.818 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -56.81 -30.44 63.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 75.140000000000001 110.894 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.46 -13.36 62.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 73.439999999999998 111.115 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.514 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 13.4 m-30 -62.57 -13.48 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 74.549999999999997 110.885 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.83 HD12 HD11 ' A' ' 81' ' ' LEU . 1.7 mt -84.99 161.33 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 72.129999999999995 110.93 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.54 151.61 46.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 65.040000000000006 110.871 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -28.99 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 53.350000000000001 110.88 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -76.85 -58.71 3.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.862 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.72 ' CB ' HD22 ' A' ' 48' ' ' LEU . 8.4 mm-40 -61.43 -53.15 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.230000000000004 110.894 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -50.11 -55.7 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 75.109999999999999 110.941 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -66.86 -24.17 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 52.310000000000002 110.911 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.08 -25.24 55.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 64.319999999999993 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -93.13 -31.87 14.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 73.540000000000006 110.911 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 69.1 m-85 -99.59 -19.47 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.100000000000001 110.928 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 85.02 -8.51 69.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 75.030000000000001 112.495 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.0 mmt -124.51 140.24 53.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 54.119999999999997 110.867 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.2 p -60.46 174.37 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 64.239999999999995 111.148 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.2 -52.87 59.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 55.240000000000002 110.889 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.85 -46.51 29.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 73.109999999999999 110.914 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.47 -40.49 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 50.530000000000001 111.137 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -62.86 -44.05 97.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 72.209999999999994 110.81 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -56.91 -21.26 28.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 75.109999999999999 110.925 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -56.84 -40.33 75.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 71.510000000000005 110.854 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.705 HD23 ' HG2' ' A' ' 71' ' ' LYS . 6.7 mp -59.16 163.29 6.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.618 0.723 . . . . 74.120000000000005 110.957 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.444 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.9 Cg_endo -69.82 170.76 15.89 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.705 2.27 . . . . 71.319999999999993 112.327 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -67.13 -46.64 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 61.030000000000001 110.947 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.433 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.0 p-90 -57.3 -42.94 82.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 64.109999999999999 110.899 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.705 ' HG2' HD23 ' A' ' 67' ' ' LEU . 26.4 tttt -76.97 -34.46 57.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 74.310000000000002 110.989 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.93 -42.67 85.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 110.899 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.93 -27.74 57.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.329999999999998 110.901 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -53.67 13.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 53.009999999999998 110.9 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -54.61 -40.34 68.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 60.409999999999997 110.865 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 10.5 mttt -46.47 -61.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 74.439999999999998 110.911 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -67.87 -27.1 66.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 71.099999999999994 110.896 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.91 -41.62 67.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 62.409999999999997 111.134 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.3 m -96.99 14.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.200000000000003 111.116 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 69.06 30.83 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.502 . . . . 73.329999999999998 110.877 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.83 HD11 HD12 ' A' ' 48' ' ' LEU . 16.6 mt -125.19 94.93 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 73.310000000000002 110.883 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.3 t80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 72.299999999999997 110.837 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.632 0.729 . . . . 73.010000000000005 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 135.23 29.99 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.602 2.202 . . . . 73.230000000000004 112.365 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 47' ' ' TYR . . . -126.95 163.29 24.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.219999999999999 111.056 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -118.22 146.76 40.11 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.625 0.726 . . . . 42.140000000000001 110.77 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 159.09 54.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.769 2.313 . . . . 45.409999999999997 112.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.709 ' HB2' HD11 ' A' ' 48' ' ' LEU . 58.3 t80 -67.17 -34.02 76.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 72.340000000000003 110.877 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -26.61 68.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 62.439999999999998 110.916 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -92.51 -24.19 18.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 110.9 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD23 ' NH1' ' A' ' 44' ' ' ARG . 1.5 mt -90.39 133.3 35.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 44.109999999999999 110.943 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -130.37 149.72 51.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 64.430000000000007 110.904 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -41.12 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 74.430000000000007 111.122 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.4 p -125.52 43.69 3.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 72.109999999999999 111.14 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.09 159.7 19.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 72.540000000000006 110.86 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.3 p -126.35 4.87 6.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 71.450000000000003 111.137 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.46 160.7 0.93 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 74.019999999999996 110.877 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 162.92 40.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.612 2.208 . . . . 63.439999999999998 112.411 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 m -138.09 173.97 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.120000000000005 111.072 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.412 ' HB2' HD11 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -86.41 12.73 9.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 71.140000000000001 110.871 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.537 ' C ' HD13 ' A' ' 39' ' ' ILE . 6.7 t0 69.47 75.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 70.239999999999995 110.89 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.537 HD13 ' C ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -131.58 -170.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 73.340000000000003 111.119 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -46.69 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 73.420000000000002 110.851 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.05 -41.86 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 64.209999999999994 111.146 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.8 p -65.74 -17.01 64.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 72.439999999999998 111.108 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -124.35 49.03 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 73.340000000000003 110.885 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.512 ' NH1' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -51.44 -39.11 56.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 110.873 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -56.76 -30.39 63.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.319999999999993 110.939 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 -12.65 61.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 51.140000000000001 111.117 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.518 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 13.6 m-30 -63.39 -12.91 34.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 75.450000000000003 110.911 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 81' ' ' LEU . 1.5 mt -84.78 159.75 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 60.119999999999997 110.882 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.8 150.22 48.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 61.310000000000002 110.885 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 p -51.44 -28.82 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 63.229999999999997 110.877 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -76.95 -58.74 3.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 65.239999999999995 110.878 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.694 ' CB ' HD22 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -61.38 -53.3 58.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 71.409999999999997 110.928 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -49.89 -55.85 12.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 61.420000000000002 110.804 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -67.04 -23.74 65.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 72.040000000000006 110.867 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.25 -25.55 55.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 73.219999999999999 110.951 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.86 -31.95 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 72.430000000000007 110.918 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 68.7 m-85 -99.5 -20.08 16.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 71.420000000000002 110.908 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 84.79 -8.76 67.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 63.350000000000001 112.473 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 mmt -120.35 140.76 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 71.340000000000003 110.834 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.29 169.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 73.420000000000002 111.158 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -53.7 -53.77 47.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 64.099999999999994 110.944 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.23 -44.51 37.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 65.549999999999997 110.927 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.93 -40.76 67.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.519999999999996 111.094 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -63.6 -45.59 89.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.889 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -54.82 -24.43 22.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 61.340000000000003 110.944 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -57.17 -23.57 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 75.109999999999999 110.892 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.2 mt -76.71 160.5 76.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.638 0.732 . . . . 72.340000000000003 110.917 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.4 Cg_endo -69.88 170.63 16.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.252 . . . . 50.119999999999997 112.305 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -66.94 -46.37 74.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 52.109999999999999 110.952 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.435 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 30.6 p-90 -57.56 -42.91 83.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 64.450000000000003 110.965 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 68' ' ' PRO . 5.2 tptm -77.21 -32.24 55.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 65.129999999999995 110.836 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -41.35 96.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.340000000000003 110.895 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.43 -27.76 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 73.450000000000003 110.939 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -71.05 -52.84 17.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 62.009999999999998 110.862 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -59.56 -39.2 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 60.100000000000001 110.879 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 13.4 mtpt -46.63 -61.51 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 110.899 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -67.5 -27.24 66.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.010000000000005 110.859 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.93 -41.74 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 54.25 111.033 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.3 m -96.85 14.49 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 61.329999999999998 111.108 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 69.7 29.61 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 63.520000000000003 110.956 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.821 HD11 HD12 ' A' ' 48' ' ' LEU . 16.7 mt -124.03 95.1 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 74.5 110.86 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.5 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 73.200000000000003 110.872 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.606 0.717 . . . . 72.120000000000005 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 174.55 9.3 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 74.25 112.361 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.24 177.43 4.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 111.037 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.5 ' HB2' HD13 ' A' ' 28' ' ' LEU . 5.9 m-70 -117.46 134.87 23.1 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.631 0.729 . . . . 55.140000000000001 110.795 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 159.26 54.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 64.109999999999999 112.365 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.7 ' HB2' HD11 ' A' ' 48' ' ' LEU . 41.6 t80 -67.28 -33.12 74.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 75.200000000000003 110.886 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.3 -27.02 66.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 53.409999999999997 110.873 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 -98.21 -23.05 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 65.140000000000001 110.894 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.892 HD23 HD22 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -90.28 133.96 34.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 74.5 110.968 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.43 160.73 32.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 74.400000000000006 110.933 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -41.42 76.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 72.420000000000002 111.131 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.2 p -128.47 43.52 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 53.020000000000003 111.144 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.99 148.05 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 74.209999999999994 110.838 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.51 11.21 26.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 52.549999999999997 111.186 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.42 160.76 0.91 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.68 . . . . 63.539999999999999 110.918 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 156.5 63.07 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.594 2.196 . . . . 74.239999999999995 112.383 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 m -137.9 172.63 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 63.340000000000003 111.135 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.418 ' HB2' HD11 ' A' ' 39' ' ' ILE . 2.0 m -88.88 12.86 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 62.539999999999999 110.803 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.542 ' C ' HD13 ' A' ' 39' ' ' ILE . 13.6 t0 68.54 76.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 70.310000000000002 110.855 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.542 HD13 ' C ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -130.34 -171.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 51.329999999999998 111.109 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.04 98.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 73.340000000000003 110.891 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.79 -42.28 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.030000000000001 111.076 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -17.65 64.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 111.179 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.2 mtm-85 -120.98 46.69 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 70.329999999999998 110.856 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -38.65 54.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 65.239999999999995 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -56.85 -30.5 63.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 75.319999999999993 110.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.58 -13.49 62.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.129999999999995 111.072 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -62.69 -13.3 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 110.884 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.814 HD12 HD11 ' A' ' 81' ' ' LEU . 1.7 mt -84.93 162.45 19.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 63.210000000000001 110.933 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.63 151.39 45.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 54.140000000000001 110.786 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.7 t -51.69 -28.92 16.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 71.120000000000005 110.894 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -76.82 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 64.040000000000006 110.931 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.702 ' CB ' HD22 ' A' ' 48' ' ' LEU . 22.7 mm-40 -62.16 -53.09 60.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 71.129999999999995 110.921 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -49.94 -56.15 11.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 64.120000000000005 110.842 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 58' ' ' GLY . 7.9 ptmt -66.98 -24.31 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 70.019999999999996 110.844 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -76.17 -25.02 54.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 63.420000000000002 110.868 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -92.73 -31.47 15.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 71.329999999999998 110.898 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 69.1 m-85 -100.09 -20.48 16.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.862 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 84.65 -8.47 68.88 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.674 -0.774 . . . . 73.400000000000006 112.497 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.6 mtt -118.43 141.31 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 63.119999999999997 110.885 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.89 169.13 1.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 75.450000000000003 111.081 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -54.03 45.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 71.219999999999999 110.855 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.16 -43.26 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.109999999999999 110.889 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.17 -44.64 71.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 71.109999999999999 111.113 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.48 -47.08 86.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.549999999999997 110.927 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -53.33 -26.24 18.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 75.340000000000003 110.957 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.15 -26.1 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 74.310000000000002 110.883 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.478 HD13 ' HG2' ' A' ' 71' ' ' LYS . 20.1 mt -70.12 160.56 80.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.73 . . . . 61.530000000000001 110.9 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.45 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 54.2 Cg_endo -69.65 168.5 21.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 74.319999999999993 112.382 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -37.34 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 72.219999999999999 110.879 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.433 ' CD1' ' HB2' ' A' ' 68' ' ' PRO . 25.4 p-90 -66.08 -40.71 91.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.239999999999995 110.967 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' HG2' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -77.92 -38.09 46.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 65.400000000000006 110.87 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.37 -39.29 79.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 65.200000000000003 110.935 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.42 -28.55 59.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 73.140000000000001 110.88 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.49 -53.34 12.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.906 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -59.49 -40.11 85.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 75.439999999999998 110.891 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 6.8 mttt -46.41 -61.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 73.530000000000001 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.2 ptp -67.93 -27.01 66.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.040000000000006 110.895 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -54.09 -41.59 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 71.099999999999994 111.067 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.3 m -96.75 15.0 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 75.439999999999998 111.068 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 68.9 31.29 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 75.129999999999995 110.933 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.892 HD22 HD23 ' A' ' 28' ' ' LEU . 17.7 mt -126.2 95.83 4.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 43.210000000000001 110.858 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.4 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 70.409999999999997 110.905 179.87 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.638 0.732 . . . . 74.5 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 135.23 29.99 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.671 2.247 . . . . 74.329999999999998 112.418 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 47' ' ' TYR . . . -127.95 161.91 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 72.409999999999997 111.154 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -117.9 146.78 39.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 75.219999999999999 110.879 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.59 56.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 61.229999999999997 112.318 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.713 ' HB2' HD11 ' A' ' 48' ' ' LEU . 49.8 t80 -67.34 -33.71 75.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.885 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -26.65 67.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 74.340000000000003 110.881 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -20.1 19.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 73.430000000000007 110.857 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mt -92.49 133.69 35.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 72.129999999999995 110.911 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.25 151.65 50.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 72.140000000000001 110.886 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.25 -41.23 37.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 55.310000000000002 111.163 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.8 p -127.91 43.65 3.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 75.219999999999999 111.144 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.74 153.17 24.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 54.539999999999999 110.871 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.3 p -118.26 5.82 11.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 111.121 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.82 161.12 0.96 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 72.329999999999998 110.839 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.14 50.82 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.668 2.245 . . . . 54.350000000000001 112.389 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.66 173.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.150000000000006 111.193 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.4 ' C ' HD13 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -86.31 12.64 9.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 72.409999999999997 110.891 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.538 ' C ' HD13 ' A' ' 39' ' ' ILE . 17.2 t0 69.36 75.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 71.219999999999999 110.879 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.538 HD13 ' C ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -131.57 -171.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 72.5 111.116 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -46.89 97.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 72.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.45 -43.08 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 63.240000000000002 111.113 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -17.4 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 63.229999999999997 111.148 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -122.45 47.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 71.439999999999998 110.896 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -38.82 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 72.530000000000001 110.897 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -56.77 -30.43 63.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.09 -13.68 62.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 111.093 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.509 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 13.3 m-30 -62.67 -13.27 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 63.119999999999997 110.936 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.827 HD12 HD11 ' A' ' 81' ' ' LEU . 1.8 mt -84.71 161.58 19.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 73.219999999999999 110.954 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.76 151.84 46.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 53.32 110.888 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 p -51.89 -29.0 18.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.82 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -76.73 -58.24 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 74.209999999999994 110.841 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.717 ' CB ' HD22 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -62.15 -53.1 60.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.450000000000003 110.868 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -50.16 -56.26 11.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.846 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.3 ptmm? -66.62 -24.35 66.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 54.210000000000001 110.987 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -75.5 -26.09 57.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 65.409999999999997 110.909 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -92.26 -31.71 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 73.400000000000006 110.849 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.457 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 70.3 m-85 -100.79 -11.56 19.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 110.836 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 69.65 8.53 60.38 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 63.310000000000002 112.516 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -134.51 139.83 45.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 64.129999999999995 110.878 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -174.66 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 72.120000000000005 111.175 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -51.52 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 62.450000000000003 110.903 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.44 -30.38 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 73.450000000000003 110.842 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.44 -51.49 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 72.349999999999994 111.125 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -62.68 -56.36 18.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.439999999999998 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -52.66 -27.13 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 72.010000000000005 110.9 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -27.31 63.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 74.329999999999998 110.893 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.632 HD13 ' HG2' ' A' ' 71' ' ' LYS . 19.9 mt -69.88 161.47 74.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.599 0.714 . . . . 65.319999999999993 110.92 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.438 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.2 Cg_endo -69.79 172.33 12.87 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.735 2.29 . . . . 51.32 112.34 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.46 -48.63 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 72.230000000000004 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.417 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 32.7 p-90 -56.23 -42.02 76.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 72.349999999999994 110.909 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.632 ' HG2' HD13 ' A' ' 67' ' ' LEU . 1.5 tptt -76.75 -35.22 57.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 73.430000000000007 110.891 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -62.27 -38.99 91.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 73.120000000000005 110.934 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -75.41 -27.28 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 54.32 110.821 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -71.8 -53.14 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 75.099999999999994 110.926 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.459 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -61.17 -40.88 95.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 75.530000000000001 110.883 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 11.4 mttt -46.49 -60.85 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.510000000000005 110.877 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -68.59 -27.04 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.409999999999997 110.878 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.84 -41.68 67.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 55.32 111.132 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.3 m -95.9 14.55 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 54.119999999999997 111.087 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 69.3 31.08 4.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.430000000000007 110.936 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.827 HD11 HD12 ' A' ' 48' ' ' LEU . 15.7 mt -124.68 95.29 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.140000000000001 110.944 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.5 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 72.230000000000004 110.866 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.568 0.699 . . . . 75.200000000000003 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 143.77 51.96 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 70.239999999999995 112.365 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.18 175.15 5.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 75.519999999999996 111.083 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.51 ' HB2' HD13 ' A' ' 28' ' ' LEU . 3.8 m-70 -122.6 129.79 24.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 73.140000000000001 110.862 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 158.9 55.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.681 2.254 . . . . 62.32 112.335 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.715 ' HB2' HD11 ' A' ' 48' ' ' LEU . 40.2 t80 -66.94 -33.18 75.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.010000000000005 110.957 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -27.06 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 63.509999999999998 110.895 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -99.14 -24.62 14.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 74.030000000000001 110.896 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.878 HD23 HD22 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -88.78 134.4 33.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 71.219999999999999 110.907 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -129.31 163.14 26.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.209999999999994 110.901 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.97 -41.4 82.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 72.340000000000003 111.198 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.9 p -128.32 43.51 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 44.43 111.121 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.49 147.88 24.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 45.130000000000003 110.878 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.1 p -108.12 12.37 26.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 71.010000000000005 111.097 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.62 161.14 0.9 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.588 0.708 . . . . 64.239999999999995 110.876 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.82 67.18 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.267 . . . . 63.409999999999997 112.257 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 m -137.91 172.47 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 71.120000000000005 111.091 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -88.5 12.48 14.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 110.856 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t70 67.98 78.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 70.099999999999994 110.912 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.678 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -132.99 -170.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.329999999999998 111.2 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -46.71 98.32 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 63.509999999999998 110.867 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.79 -41.57 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 63.439999999999998 111.164 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -17.78 64.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 71.439999999999998 111.194 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -120.21 46.01 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 71.409999999999997 110.918 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -51.34 -38.64 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 110.868 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -56.6 -30.37 63.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 65.25 110.904 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -14.28 62.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 73.409999999999997 111.106 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.678 ' CD2' HD12 ' A' ' 39' ' ' ILE . 13.3 m-30 -62.03 -13.61 27.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 73.140000000000001 110.919 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.84 HD12 HD11 ' A' ' 81' ' ' LEU . 1.7 mt -85.02 161.46 19.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 75.310000000000002 110.921 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 m -68.74 151.88 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 75.430000000000007 110.862 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.6 p -51.88 -29.02 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 61.130000000000003 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.63 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 62.439999999999998 110.927 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.709 ' CB ' HD22 ' A' ' 48' ' ' LEU . 3.7 mm-40 -61.53 -52.79 62.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 74.230000000000004 110.834 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -50.09 -56.15 12.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 64.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -66.73 -23.62 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 43.439999999999998 110.9 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.86 -26.25 56.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 64.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -92.18 -31.89 15.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 74.329999999999998 110.907 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.46 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 70.7 m-85 -100.43 -11.72 19.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 71.439999999999998 110.911 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 69.51 8.82 60.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 71.150000000000006 112.426 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -135.05 140.23 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 72.329999999999998 110.859 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -174.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 63.109999999999999 111.155 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -51.78 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 110.934 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.69 -30.37 62.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 55.399999999999999 110.884 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.35 -51.0 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 72.5 111.127 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -62.16 -56.17 21.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 74.400000000000006 110.853 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -54.46 -25.18 23.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 74.129999999999995 110.944 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -32.36 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 72.310000000000002 110.948 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.548 HD23 ' HG2' ' A' ' 71' ' ' LYS . 5.9 mp -66.38 164.2 33.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 72.030000000000001 110.871 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.439 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 54.1 Cg_endo -69.72 170.8 15.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.655 2.237 . . . . 75.109999999999999 112.362 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -66.55 -48.7 68.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 75.129999999999995 110.876 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.432 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 30.9 p-90 -55.19 -42.64 73.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 62.409999999999997 110.874 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.548 ' HG2' HD23 ' A' ' 67' ' ' LEU . 11.0 ttmt -76.76 -34.53 58.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 71.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -62.68 -41.52 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.049999999999997 110.948 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.35 -27.68 62.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.540000000000006 110.868 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -72.0 -52.52 16.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 73.450000000000003 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.472 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -60.02 -40.81 90.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 64.109999999999999 110.878 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 14.5 mtpt -46.62 -61.5 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 73.150000000000006 110.931 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -67.6 -27.17 66.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 72.040000000000006 110.882 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -53.99 -41.48 67.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 64.25 111.066 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.3 m -96.85 14.85 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 64.439999999999998 111.099 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 69.28 31.14 4.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 43.310000000000002 110.914 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.878 HD22 HD23 ' A' ' 28' ' ' LEU . 16.4 mt -125.95 95.87 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 74.299999999999997 110.866 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 74.109999999999999 110.841 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.632 0.73 . . . . 63.43 110.921 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 152.38 68.86 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 61.049999999999997 112.351 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.65 173.6 6.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 62.439999999999998 111.143 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.473 ' HB2' HD13 ' A' ' 28' ' ' LEU . 11.5 m-70 -117.81 138.46 25.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 74.25 110.863 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 157.95 58.48 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 73.230000000000004 112.291 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.672 ' HB2' HD11 ' A' ' 48' ' ' LEU . 45.1 t80 -67.32 -32.81 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 71.25 110.95 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -27.01 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.892 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -96.28 -23.51 16.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 71.519999999999996 110.891 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.853 HD23 HD22 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -89.54 133.93 34.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 61.149999999999999 110.858 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.73 156.14 44.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 75.230000000000004 110.883 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.33 -41.29 60.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 75.310000000000002 111.138 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 63.0 p -128.59 43.6 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 111.14 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.67 150.05 24.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 54.149999999999999 110.917 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.61 9.37 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 63.329999999999998 111.149 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.43 161.07 0.85 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 70.030000000000001 110.87 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 157.62 59.86 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.705 2.27 . . . . 71.409999999999997 112.4 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 m -137.88 173.18 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 72.230000000000004 111.149 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.21 12.39 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.040000000000006 110.907 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 t70 68.69 77.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 73.219999999999999 110.884 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.675 HD12 ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -133.42 -169.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 74.420000000000002 111.129 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -46.51 98.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 64.519999999999996 110.879 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.66 -42.39 91.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 53.450000000000003 111.126 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -65.86 -17.11 64.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 72.420000000000002 111.203 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.02 47.08 1.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 73.349999999999994 110.816 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -38.35 51.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.230000000000004 110.912 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -56.71 -30.85 63.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 71.239999999999995 110.897 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.69 -14.13 62.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 72.329999999999998 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.675 ' CD2' HD12 ' A' ' 39' ' ' ILE . 13.3 m-30 -62.51 -13.5 31.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 74.319999999999993 110.897 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.798 HD12 HD11 ' A' ' 81' ' ' LEU . 1.9 mt -85.18 156.83 20.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 63.119999999999997 110.966 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.4 m -63.92 151.94 41.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 72.519999999999996 110.886 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.0 p -52.3 -28.92 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 34.200000000000003 110.899 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -76.23 -58.21 3.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 70.109999999999999 110.866 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.725 ' CB ' HD22 ' A' ' 48' ' ' LEU . 23.9 mt-10 -61.88 -53.01 61.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 110.865 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.23 -56.49 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 110.886 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -66.5 -23.71 66.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 73.129999999999995 110.838 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.25 -25.81 55.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.993 0.425 . . . . 73.510000000000005 110.923 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -93.32 -31.43 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 71.450000000000003 110.847 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 69.1 m-85 -100.11 -16.67 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 63.539999999999999 110.869 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 83.96 -8.15 67.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 45.509999999999998 112.506 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.4 mtp -133.82 140.67 47.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 63.439999999999998 110.9 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.3 t -67.05 -173.38 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 73.219999999999999 111.148 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -58.96 -55.47 34.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.875 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -60.34 -54.04 50.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 73.099999999999994 110.934 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.48 -53.86 48.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.519999999999996 111.114 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -59.8 -55.91 28.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 61.210000000000001 110.876 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -51.58 -27.93 12.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.439999999999998 110.907 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -57.75 -29.66 64.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 74.430000000000007 110.937 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.72 HD13 ' HG2' ' A' ' 71' ' ' LYS . 20.0 mt -69.08 161.7 70.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.703 . . . . 73.129999999999995 110.935 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.435 ' HG2' ' CB ' ' A' ' 71' ' ' LYS . 53.8 Cg_endo -69.72 171.57 14.18 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.772 2.315 . . . . 64.439999999999998 112.341 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -66.07 -48.76 69.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 64.120000000000005 110.912 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 71' ' ' LYS . 31.7 p-90 -55.81 -42.2 75.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 72.25 110.904 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.72 ' HG2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.85 -33.95 57.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 73.299999999999997 110.922 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.8 -38.97 93.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 75.109999999999999 110.897 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -27.31 59.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 64.439999999999998 110.856 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -71.91 -53.19 13.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 52.200000000000003 110.862 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.464 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -60.88 -40.43 93.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 64.420000000000002 110.828 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 10.3 mttt -46.4 -61.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 70.140000000000001 110.883 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 ptm -68.21 -26.99 65.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 44.350000000000001 110.905 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 75' ' ' PHE . . . -54.05 -41.86 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 65.129999999999995 111.058 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.3 m -96.13 15.44 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 74.209999999999994 111.107 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 68.39 32.32 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.319999999999993 110.924 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.853 HD22 HD23 ' A' ' 28' ' ' LEU . 17.2 mt -126.44 95.64 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 72.310000000000002 110.945 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.4 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 70.140000000000001 110.937 179.913 . . . . . . . . 0 0 . 1 stop_ save_